(2S)-3-(1H-indol-3-yl)-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbonylamino]propanoate

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbonylamino]propanoate Openeye Name: (2S)-2-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[oxo-[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]amino]propanoate IUPAC Name: (2S)-2-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]-3-(1H-indol-3-yl)propionate Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3/c28-23(18-10-12-27(13-11-18)16-17-6-2-1-3-7-17)26-22(24(29)30)14-19-15-25-21-9-5-4-8-20(19)21/h1-9,15,18,22,25H,10-14,16H2,(H,26,28)(H,29,30)/t22-/m0/s1