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

Systemtic Name: ethyl 3-[4-cyano-3-methyl-1-[(3-methylphenyl)amino]-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate Openeye Name: ethyl 3-[4-cyano-3-methyl-1-(3-methylanilino)-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate CAS Name: 3-[4-cyano-3-methyl-1-(3-methylanilino)-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-cyano-3-methyl-1-(3-methylanilino)-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate Traditional Name: 3-[4-cyano-3-methyl-1-(m-toluidino)-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propionic acid ethyl ester Formula: C25H25N4O2+ MolecularWeight: 413.4916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NC4=CC=CC(=C4)C

Isomeric SMILES

CCOC(=O)CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NC4=CC=CC(=C4)C

InChI

InChI=1S/C25H24N4O2/c1-4-31-23(30)13-12-19-17(3)20(15-26)25-28-21-10-5-6-11-22(21)29(25)24(19)27-18-9-7-8-16(2)14-18/h5-11,14H,4,12-13H2,1-3H3,(H,27,28)/p+1