[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1R)-2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C22H16N2O4 MolecularWeight: 372.37344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)OC(=O)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)C2=CNC3=CC=CC=C32)OC(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C22H16N2O4/c25-20(18-14-23-19-9-5-4-8-17(18)19)21(15-6-2-1-3-7-15)28-22(26)16-10-12-24(27)13-11-16/h1-14,21,23H/t21-/m1/s1