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

Systemtic Name: ethyl 3-[4-cyano-1-[(4-methoxyphenyl)amino]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate Openeye Name: ethyl 3-[4-cyano-1-(4-methoxyanilino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate CAS Name: 3-[4-cyano-1-(4-methoxyanilino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-cyano-1-(4-methoxyanilino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate Traditional Name: 3-[4-cyano-3-methyl-1-(p-anisidino)-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propionic acid ethyl ester Formula: C25H25N4O3+ MolecularWeight: 429.491

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O3/c1-4-32-23(30)14-13-19-16(2)20(15-26)25-28-21-7-5-6-8-22(21)29(25)24(19)27-17-9-11-18(31-3)12-10-17/h5-12H,4,13-14H2,1-3H3,(H,27,28)/p+1