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

Systemtic Name: 3-[(2-butyl-4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(2-butyl-4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(2-butyl-4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(2-butyl-4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(2-butyl-4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]propyl-dimethyl-ammonium Formula: C22H30N5+ MolecularWeight: 364.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC[NH+](C)C

Isomeric SMILES

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)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/h7-8,11-12,24H,5-6,9-10,13-14H2,1-4H3/p+1