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

Systemtic Name: 1-[(1S)-2-oxidanidyl-2-oxidanylidene-1-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1S)-2-oxido-2-oxo-1-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1S)-2-oxido-2-oxo-1-(2-phenyl-1H-indol-3-yl)ethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(1S)-2-oxido-2-oxo-1-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-2-keto-2-oxido-1-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxylate Formula: C22H21N2O4- MolecularWeight: 377.41314

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])C(C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])[C@@H](C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C22H22N2O4/c25-21(26)15-10-12-24(13-11-15)20(22(27)28)18-16-8-4-5-9-17(16)23-19(18)14-6-2-1-3-7-14/h1-9,15,20,23H,10-13H2,(H,25,26)(H,27,28)/p-1/t20-/m0/s1