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

Systemtic Name: ethyl 3-[4-cyano-1-[(4-ethoxyphenyl)amino]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate Openeye Name: ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate CAS Name: 3-[4-cyano-1-(4-ethoxyanilino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate Traditional Name: 3-[4-cyano-3-methyl-1-(p-phenetidino)-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propionic acid ethyl ester Formula: C26H27N4O3+ MolecularWeight: 443.51758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=C(C3=[N+]2C4=CC=CC=C4N3)C#N)C)CCC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=C(C3=[N+]2C4=CC=CC=C4N3)C#N)C)CCC(=O)OCC

InChI

InChI=1S/C26H26N4O3/c1-4-32-19-12-10-18(11-13-19)28-25-20(14-15-24(31)33-5-2)17(3)21(16-27)26-29-22-8-6-7-9-23(22)30(25)26/h6-13H,4-5,14-15H2,1-3H3,(H,28,29)/p+1