[(2S)-1-(4-carboxy-4-phenyl-piperidin-1-yl)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium chloride

Systemtic Name: [(2S)-1-(4-carboxy-4-phenyl-piperidin-1-yl)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium chloride Openeye Name: [(1S)-2-(4-carboxy-4-phenyl-1-piperidyl)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]ammonium chloride CAS Name: [(2S)-1-(4-carboxy-4-phenyl-1-piperidinyl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]ammonium chloride IUPAC Name: [(2S)-1-(4-carboxy-4-phenylpiperidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride Traditional Name: [(1S)-2-(4-carboxy-4-phenyl-piperidino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]ammonium chloride Formula: C23H26ClN3O3 MolecularWeight: 427.92384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)C(=O)C(CC3=CNC4=CC=CC=C43)[NH3+].[Cl-]

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)C(=O)[C@H](CC3=CNC4=CC=CC=C43)[NH3+].[Cl-]

InChI

InChI=1S/C23H25N3O3.ClH/c24-19(14-16-15-25-20-9-5-4-8-18(16)20)21(27)26-12-10-23(11-13-26,22(28)29)17-6-2-1-3-7-17;/h1-9,15,19,25H,10-14,24H2,(H,28,29);1H/t19-;/m0./s1