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

Systemtic Name: 3-[[4-cyano-2-(2-cyanoethyl)-3-methyl-pyrido[1,2-a]benzimidazol-1-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-cyano-2-(2-cyanoethyl)-3-methyl-pyrido[1,2-a]benzimidazol-1-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-2-(2-cyanoethyl)-3-methyl-1-pyrido[1,2-a]benzimidazolyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-cyano-2-(2-cyanoethyl)-3-methylpyrido[1,2-a]benzimidazol-1-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-cyano-2-(2-cyanoethyl)-3-methyl-pyrido[1,2-a]benzimidazol-1-yl]amino]propyl-dimethyl-ammonium Formula: C21H25N6+ MolecularWeight: 361.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC#N)NCCC[NH+](C)C)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC#N)NCCC[NH+](C)C)C#N

InChI

InChI=1S/C21H24N6/c1-15-16(8-6-11-22)20(24-12-7-13-26(2)3)27-19-10-5-4-9-18(19)25-21(27)17(15)14-23/h4-5,9-10,24H,6-8,12-13H2,1-3H3/p+1