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

Systemtic Name: 3-[(4-cyano-3-methyl-2-propyl-pyrido[1,2-a]benzimidazol-1-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-cyano-3-methyl-2-propyl-pyrido[1,2-a]benzimidazol-1-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-cyano-3-methyl-2-propyl-1-pyrido[1,2-a]benzimidazolyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-cyano-3-methyl-2-propylpyrido[1,2-a]benzimidazol-1-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-cyano-3-methyl-2-propyl-pyrido[1,2-a]benzimidazol-1-yl)amino]propyl-dimethyl-ammonium Formula: C21H28N5+ MolecularWeight: 350.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC[NH+](C)C

Isomeric SMILES

CCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC[NH+](C)C

InChI

InChI=1S/C21H27N5/c1-5-9-16-15(2)17(14-22)21-24-18-10-6-7-11-19(18)26(21)20(16)23-12-8-13-25(3)4/h6-7,10-11,23H,5,8-9,12-13H2,1-4H3/p+1