1-[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: 1-[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: 1-[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[(2S)-2-ammonio-3-(1H-indol-3-yl)-1-oxopropyl]-4-phenyl-4-piperidinecarboxylate IUPAC Name: 1-[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[(2S)-2-ammonio-3-(1H-indol-3-yl)propanoyl]-4-phenyl-isonipecotate Formula: C23H25N3O3 MolecularWeight: 391.4629

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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+]

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3/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)/t19-/m0/s1