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

Systemtic Name: 3-[[4-cyano-3-methyl-2-[(4-methylphenyl)methyl]-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-cyano-3-methyl-2-(p-tolylmethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-3-methyl-2-[(4-methylphenyl)methyl]-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-cyano-3-methyl-2-[(4-methylphenyl)methyl]-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-cyano-3-methyl-2-(4-methylbenzyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-dimethyl-ammonium Formula: C26H31N5+2 MolecularWeight: 413.55784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C([N+]3=C(C(=C2C)C#N)NC4=CC=CC=C43)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C([N+]3=C(C(=C2C)C#N)NC4=CC=CC=C43)NCCC[NH+](C)C

InChI

InChI=1S/C26H29N5/c1-18-10-12-20(13-11-18)16-21-19(2)22(17-27)26-29-23-8-5-6-9-24(23)31(26)25(21)28-14-7-15-30(3)4/h5-6,8-13H,7,14-16H2,1-4H3,(H,28,29)/p+2