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- ChemComp-FTQ: bis(1-butyl-3-methyl-imidazol-3-ium-2-yl)gold -

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Basic information

EntryDatabase: PDB chemical components / ID: FTQ
NameName: bis(1-butyl-3-methyl-imidazol-3-ium-2-yl)gold

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Chemical information

Composition
Formula: C16H28AuN4 / Number of atoms: 49 / Formula weight: 473.387 / Formal charge: 2
Others

6h5r

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FTQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6H5R
History
Create componentJul 26, 2018
Initial releaseJan 30, 2019
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

CACTVS 3.385CCCCn1cc[n+](C)c1[Au]c2n(CCCC)cc[n+]2C
OpenEye OEToolkits 2.0.6CCCCn1cc[n+](c1[Au]c2n(cc[n+]2C)CCCC)C

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SMILES CANONICAL

CACTVS 3.385CCCCn1cc[n+](C)c1[Au]c2n(CCCC)cc[n+]2C
OpenEye OEToolkits 2.0.6CCCCn1cc[n+](c1[Au]c2n(cc[n+]2C)CCCC)C

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InChI

InChI 1.03InChI=1S/2C8H14N2.Au/c2*1-3-4-5-10-7-6-9(2)8-10;/h2*6-7H,3-5H2,1-2H3;/q2*+1;

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InChIKey

InChI 1.03DHOATHUNKSQARV-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6bis(1-butyl-3-methyl-imidazol-3-ium-2-yl)gold

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PDB entries

Showing all 1 items

PDB-6h5r:
Structure of the complex of a human telomeric DNA with bis(1-butyl-3-methyl-imidazole-2-ylidene) gold(I)

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