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

Systemtic Name: ethyl 3-[1-[(4-acetamidophenyl)amino]-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate Openeye Name: ethyl 3-[1-(4-acetamidoanilino)-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate CAS Name: 3-[1-(4-acetamidoanilino)-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-(4-acetamidoanilino)-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate Traditional Name: 3-[1-(4-acetamidoanilino)-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propionic acid ethyl ester Formula: C26H26N5O3+ MolecularWeight: 456.51634

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O3/c1-4-34-24(33)14-13-20-16(2)21(15-27)26-30-22-7-5-6-8-23(22)31(26)25(20)29-19-11-9-18(10-12-19)28-17(3)32/h5-12H,4,13-14H2,1-3H3,(H2,28,29,30,32)/p+1