[2-[2,4-di(propan-2-yl)phenyl]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[2,4-di(propan-2-yl)phenyl]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(2,4-diisopropylphenyl)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(2,4-diisopropylphenyl)-2-keto-ethyl] ester Formula: C20H23NO4 MolecularWeight: 341.40092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4/c1-13(2)16-5-6-17(18(11-16)14(3)4)19(22)12-25-20(23)15-7-9-21(24)10-8-15/h5-11,13-14H,12H2,1-4H3