(3S)-1-[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1R)-2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)[C@H](C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)C(=O)N

InChI

InChI=1S/C22H23N3O2/c23-22(27)16-9-6-12-25(14-16)20(15-7-2-1-3-8-15)21(26)18-13-24-19-11-5-4-10-17(18)19/h1-5,7-8,10-11,13,16,20,24H,6,9,12,14H2,(H2,23,27)/p+1/t16-,20+/m0/s1