[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C24H20N2O4 MolecularWeight: 400.4266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)C(C3=CC=CC=C3)OC(=O)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)[C@H](C3=CC=CC=C3)OC(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C24H20N2O4/c1-2-16-9-6-10-19-20(15-25-21(16)19)22(27)23(17-7-4-3-5-8-17)30-24(28)18-11-13-26(29)14-12-18/h3-15,23,25H,2H2,1H3/t23-/m0/s1