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9T8

Summary
Name:3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium
Formula:C8 H21 N3 O
Formal charge:2
Formula weight:175.272 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.63-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C8H19N3O/c1-11(2)7-3-6-10-8(12)4-5-9/h3-7,9H2,1-2H3,(H,10,12)/p+2
InChIKeyInChI1.03CKBSAZMXMFCAGN-UHFFFAOYSA-P
SMILES_CANONICALCACTVS3.385C[NH+](C)CCCNC(=O)CC[NH3+]
SMILESCACTVS3.385C[NH+](C)CCCNC(=O)CC[NH3+]
SMILES_CANONICALOpenEye OEToolkits2.0.6C[NH+](C)CCCNC(=O)CC[NH3+]
SMILESOpenEye OEToolkits2.0.6C[NH+](C)CCCNC(=O)CC[NH3+]

218853

PDB entries from 2024-04-24

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