(3S)-1-[(1R)-1-(5-chloranyl-1H-indol-3-yl)-2-oxidanidyl-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[(1R)-1-(5-chloranyl-1H-indol-3-yl)-2-oxidanidyl-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[(1R)-1-(5-chloro-1H-indol-3-yl)-2-oxido-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1R)-1-(5-chloro-1H-indol-3-yl)-2-oxido-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[(1R)-1-(5-chloro-1H-indol-3-yl)-2-oxido-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1R)-1-(5-chloro-1H-indol-3-yl)-2-keto-2-oxido-ethyl]piperidin-1-ium-3-carboxylate Formula: C16H16ClN2O4- MolecularWeight: 335.76224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C(C2=CNC3=C2C=C(C=C3)Cl)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)[C@H](C2=CNC3=C2C=C(C=C3)Cl)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H17ClN2O4/c17-10-3-4-13-11(6-10)12(7-18-13)14(16(22)23)19-5-1-2-9(8-19)15(20)21/h3-4,6-7,9,14,18H,1-2,5,8H2,(H,20,21)(H,22,23)/p-1/t9-,14+/m0/s1