[2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[2-(4-isopropylphenyl)ethylamino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-(2-p-cumenylethylamino)ethyl] ester Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4/c1-14(2)16-5-3-15(4-6-16)7-10-20-18(22)13-25-19(23)17-8-11-21(24)12-9-17/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3,(H,20,22)