[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(3,3-diphenylpropylamino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(3,3-diphenylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,3-diphenylpropylamino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(3,3-diphenylpropylamino)-2-keto-ethyl] ester Formula: C23H22N2O4 MolecularWeight: 390.43178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C23H22N2O4/c26-22(17-29-23(27)20-12-15-25(28)16-13-20)24-14-11-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,12-13,15-16,21H,11,14,17H2,(H,24,26)