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

Systemtic Name: ethyl 3-(4-cyano-3-methyl-1-oxidanyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl)propanoate Openeye Name: ethyl 3-(4-cyano-1-hydroxy-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl)propanoate CAS Name: 3-(4-cyano-1-hydroxy-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-cyano-1-hydroxy-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl)propanoate Traditional Name: 3-(4-cyano-1-hydroxy-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl)propionic acid ethyl ester Formula: C18H18N3O3+ MolecularWeight: 324.35382

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3/c1-3-24-16(22)9-8-12-11(2)13(10-19)17-20-14-6-4-5-7-15(14)21(17)18(12)23/h4-7H,3,8-9H2,1-2H3,(H,20,23)/p+1