2-(4-cyano-3-methyl-1-oxidanylidene-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-2-yl)ethyl ethanoate

Systemtic Name: 2-(4-cyano-3-methyl-1-oxidanylidene-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-2-yl)ethyl ethanoate Openeye Name: 2-(4-cyano-3-methyl-1-oxo-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-2-yl)ethyl acetate CAS Name: acetic acid 2-(4-cyano-3-methyl-1-oxo-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-2-yl)ethyl ester IUPAC Name: 2-(4-cyano-3-methyl-1-oxo-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-2-yl)ethyl acetate Traditional Name: acetic acid 2-(4-cyano-1-keto-3-methyl-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-2-yl)ethyl ester Formula: C17H16N3O3+ MolecularWeight: 310.32724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[N+]2=C3C=CC=CC3NC2=C1C#N)CCOC(=O)C

Isomeric SMILES

CC1=C(C(=O)[N+]2=C3C=CC=CC3NC2=C1C#N)CCOC(=O)C

InChI

InChI=1S/C17H15N3O3/c1-10-12(7-8-23-11(2)21)17(22)20-15-6-4-3-5-14(15)19-16(20)13(10)9-18/h3-6,14H,7-8H2,1-2H3/p+1