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

Systemtic Name: 3-[(4-cyano-3-methyl-2-prop-2-enyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(2-allyl-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-cyano-3-methyl-2-prop-2-enyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-cyano-3-methyl-2-prop-2-enyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(2-allyl-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethyl-ammonium Formula: C21H27N5+2 MolecularWeight: 349.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CC=C)NCCC[NH+](C)C)C#N

Isomeric SMILES

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CC=C)NCCC[NH+](C)C)C#N

InChI

InChI=1S/C21H25N5/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/h5-7,10-11H,1,8-9,12-13H2,2-4H3,(H,23,24)/p+2