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

Systemtic Name: (3S)-1-[(1R)-1-(5-benzamido-1H-indol-3-yl)-2-oxidanidyl-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[(1R)-1-(5-benzamido-1H-indol-3-yl)-2-oxido-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1R)-1-(5-benzamido-1H-indol-3-yl)-2-oxido-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[(1R)-1-(5-benzamido-1H-indol-3-yl)-2-oxido-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1R)-1-(5-benzamido-1H-indol-3-yl)-2-keto-2-oxido-ethyl]piperidin-1-ium-3-carboxylate Formula: C23H22N3O5- MolecularWeight: 420.43788

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H23N3O5/c27-21(14-5-2-1-3-6-14)25-16-8-9-19-17(11-16)18(12-24-19)20(23(30)31)26-10-4-7-15(13-26)22(28)29/h1-3,5-6,8-9,11-12,15,20,24H,4,7,10,13H2,(H,25,27)(H,28,29)(H,30,31)/p-1/t15-,20+/m0/s1