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

Systemtic Name: 3-[[4-cyano-3-methyl-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(2-benzyl-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-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-dimethylammonium IUPAC Name: 3-[(2-benzyl-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(2-benzyl-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethyl-ammonium Formula: C25H29N5+2 MolecularWeight: 399.53126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CC4=CC=CC=C4)NCCC[NH+](C)C)C#N

Isomeric SMILES

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CC4=CC=CC=C4)NCCC[NH+](C)C)C#N

InChI

InChI=1S/C25H27N5/c1-18-20(16-19-10-5-4-6-11-19)24(27-14-9-15-29(2)3)30-23-13-8-7-12-22(23)28-25(30)21(18)17-26/h4-8,10-13H,9,14-16H2,1-3H3,(H,27,28)/p+2