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- ChemComp-HX0: N,N,N-trioctyloctan-1-aminium -

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Basic information

EntryDatabase: PDB chemical components / ID: HX0
NameName: N,N,N-trioctyloctan-1-aminium

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Chemical information

Composition
Formula: C32H68N / Number of atoms: 101 / Formula weight: 466.889 / Formal charge: 1
Others

2w0f

Type: non-polymer / Three letter code: HX0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2W0F
History
Create componentAug 14, 2008
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04[N+](CCCCCCCC)(CCCCCCCC)(CCCCCCCC)CCCCCCCC
CACTVS 3.341CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC

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SMILES CANONICAL

CACTVS 3.341CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC

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InChI

InChI 1.03InChI=1S/C32H68N/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3/q+1

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InChIKey

InChI 1.03CHYBTAZWINMGHA-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N,N,N-trioctyloctan-1-aminium
OpenEye OEToolkits 1.5.0tetraoctylazanium

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PDB entries

Showing all 1 items

PDB-2w0f:
Potassium Channel KcsA-Fab Complex with Tetraoctylammonium

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