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

Systemtic Name: ethyl 1-(4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)piperidine-4-carboxylate CAS Name: 1-(4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)piperidine-4-carboxylate Traditional Name: 1-(4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)isonipecotic acid ethyl ester Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=[N+]3C4=CC=CC=C4NC3=C(C(=C2)C)C#N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=[N+]3C4=CC=CC=C4NC3=C(C(=C2)C)C#N

InChI

InChI=1S/C21H22N4O2/c1-3-27-21(26)15-8-10-24(11-9-15)19-12-14(2)16(13-22)20-23-17-6-4-5-7-18(17)25(19)20/h4-7,12,15H,3,8-11H2,1-2H3/p+1