3-[[2-(azepan-1-yl)pyridin-1-ium-3-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(azepan-1-yl)pyridin-1-ium-3-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(azepan-1-yl)pyridin-1-ium-3-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-(1-azepanyl)-3-pyridin-1-iumyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(azepan-1-yl)pyridin-1-ium-3-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(azepan-1-yl)pyridin-1-ium-3-carbonyl]amino]propyl-dimethyl-ammonium Formula: C17H30N4O+2 MolecularWeight: 306.4463

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=C([NH+]=CC=C1)N2CCCCCC2

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=C([NH+]=CC=C1)N2CCCCCC2

InChI

InChI=1S/C17H28N4O/c1-20(2)12-8-11-19-17(22)15-9-7-10-18-16(15)21-13-5-3-4-6-14-21/h7,9-10H,3-6,8,11-14H2,1-2H3,(H,19,22)/p+2