3-[(2-butyl-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(2-butyl-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(2-butyl-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(2-butyl-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(2-butyl-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(2-butyl-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethyl-ammonium Formula: C22H31N5+2 MolecularWeight: 365.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCCC[NH+](C)C

Isomeric SMILES

CCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCCC[NH+](C)C

InChI

InChI=1S/C22H29N5/c1-5-6-10-17-16(2)18(15-23)22-25-19-11-7-8-12-20(19)27(22)21(17)24-13-9-14-26(3)4/h7-8,11-12H,5-6,9-10,13-14H2,1-4H3,(H,24,25)/p+2