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

Systemtic Name: 1-[(1S)-1-(5-benzamido-1H-indol-3-yl)-2-oxidanidyl-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1S)-1-(5-benzamido-1H-indol-3-yl)-2-oxido-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1S)-1-(5-benzamido-1H-indol-3-yl)-2-oxido-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(1S)-1-(5-benzamido-1H-indol-3-yl)-2-oxido-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-1-(5-benzamido-1H-indol-3-yl)-2-keto-2-oxido-ethyl]piperidin-1-ium-4-carboxylate Formula: C23H22N3O5- MolecularWeight: 420.43788

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])C(C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])[C@@H](C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C23H23N3O5/c27-21(14-4-2-1-3-5-14)25-16-6-7-19-17(12-16)18(13-24-19)20(23(30)31)26-10-8-15(9-11-26)22(28)29/h1-7,12-13,15,20,24H,8-11H2,(H,25,27)(H,28,29)(H,30,31)/p-1/t20-/m0/s1