[4-[[[6-(azepan-1-yl)pyridin-3-yl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[[6-(azepan-1-yl)pyridin-3-yl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[[6-(1-azepanyl)-3-pyridinyl]-oxomethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[[6-(azepan-1-yl)nicotinoyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2=CN=C(C=C2)N3CCCCCC3

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2=CN=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C22H30N4O/c1-25(2)17-19-9-7-18(8-10-19)15-24-22(27)20-11-12-21(23-16-20)26-13-5-3-4-6-14-26/h7-12,16H,3-6,13-15,17H2,1-2H3,(H,24,27)/p+1