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

Systemtic Name: (3S)-1-[(1R)-2-oxidanidyl-2-oxidanylidene-1-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[(1R)-1-(5-benzyloxy-1H-indol-3-yl)-2-oxido-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1R)-2-oxido-2-oxo-1-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[(1R)-2-oxido-2-oxo-1-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1R)-1-(5-benzoxy-1H-indol-3-yl)-2-keto-2-oxido-ethyl]piperidin-1-ium-3-carboxylate Formula: C23H23N2O5- MolecularWeight: 407.43912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)[C@H](C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C23H24N2O5/c26-22(27)16-7-4-10-25(13-16)21(23(28)29)19-12-24-20-9-8-17(11-18(19)20)30-14-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,16,21,24H,4,7,10,13-14H2,(H,26,27)(H,28,29)/p-1/t16-,21+/m0/s1