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

Systemtic Name: (2S)-1-[(1R)-1-(1H-indol-3-yl)-2-oxidanidyl-2-oxidanylidene-ethyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-1-[(1R)-1-(1H-indol-3-yl)-2-oxido-2-oxo-ethyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(1R)-1-(1H-indol-3-yl)-2-oxido-2-oxoethyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-1-[(1R)-1-(1H-indol-3-yl)-2-oxido-2-oxoethyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[(1R)-1-(1H-indol-3-yl)-2-keto-2-oxido-ethyl]pyrrolidin-1-ium-2-carboxylate Formula: C15H15N2O4- MolecularWeight: 287.2906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)C(C2=CNC3=CC=CC=C32)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@H]([NH+](C1)[C@H](C2=CNC3=CC=CC=C32)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H16N2O4/c18-14(19)12-6-3-7-17(12)13(15(20)21)10-8-16-11-5-2-1-4-9(10)11/h1-2,4-5,8,12-13,16H,3,6-7H2,(H,18,19)(H,20,21)/p-1/t12-,13+/m0/s1