(3S)-1-[(1R)-2-oxidanidyl-2-oxidanylidene-1-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[(1R)-2-oxidanidyl-2-oxidanylidene-1-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[(1R)-2-oxido-2-oxo-1-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1R)-2-oxido-2-oxo-1-(2-phenyl-1H-indol-3-yl)ethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[(1R)-2-oxido-2-oxo-1-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1R)-2-keto-2-oxido-1-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-1-ium-3-carboxylate Formula: C22H21N2O4- MolecularWeight: 377.41314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C(C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)[C@H](C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C22H22N2O4/c25-21(26)15-9-6-12-24(13-15)20(22(27)28)18-16-10-4-5-11-17(16)23-19(18)14-7-2-1-3-8-14/h1-5,7-8,10-11,15,20,23H,6,9,12-13H2,(H,25,26)(H,27,28)/p-1/t15-,20+/m0/s1