[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Openeye Name: [2-(3-ethylanilino)-2-oxo-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxylic acid [2-(3-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-2-oxoethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-pyrrolidinopyridin-1-ium-3-carboxylic acid [2-(3-ethylanilino)-2-keto-ethyl] ester Formula: C20H24N3O3+ MolecularWeight: 354.42286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N3CCCC3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N3CCCC3

InChI

InChI=1S/C20H23N3O3/c1-2-15-7-5-8-16(13-15)22-18(24)14-26-20(25)17-9-6-10-21-19(17)23-11-3-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,24)/p+1