1-[(1S)-1-(5-bromanyl-1H-indol-3-yl)-2-oxidanidyl-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(1S)-1-(5-bromanyl-1H-indol-3-yl)-2-oxidanidyl-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1S)-1-(5-bromo-1H-indol-3-yl)-2-oxido-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1S)-1-(5-bromo-1H-indol-3-yl)-2-oxido-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(1S)-1-(5-bromo-1H-indol-3-yl)-2-oxido-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-1-(5-bromo-1H-indol-3-yl)-2-keto-2-oxido-ethyl]piperidin-1-ium-4-carboxylate Formula: C16H16BrN2O4- MolecularWeight: 380.21324

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])C(C2=CNC3=C2C=C(C=C3)Br)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])[C@@H](C2=CNC3=C2C=C(C=C3)Br)C(=O)[O-]

InChI

InChI=1S/C16H17BrN2O4/c17-10-1-2-13-11(7-10)12(8-18-13)14(16(22)23)19-5-3-9(4-6-19)15(20)21/h1-2,7-9,14,18H,3-6H2,(H,20,21)(H,22,23)/p-1/t14-/m0/s1