1-[(1S)-1-(1H-indol-3-yl)-2-oxidanidyl-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(1S)-1-(1H-indol-3-yl)-2-oxidanidyl-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1S)-1-(1H-indol-3-yl)-2-oxido-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1S)-1-(1H-indol-3-yl)-2-oxido-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(1S)-1-(1H-indol-3-yl)-2-oxido-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-1-(1H-indol-3-yl)-2-keto-2-oxido-ethyl]piperidin-1-ium-4-carboxylate Formula: C16H17N2O4- MolecularWeight: 301.31718

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])C(C2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])[C@@H](C2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C16H18N2O4/c19-15(20)10-5-7-18(8-6-10)14(16(21)22)12-9-17-13-4-2-1-3-11(12)13/h1-4,9-10,14,17H,5-8H2,(H,19,20)(H,21,22)/p-1/t14-/m0/s1