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

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]carbonylamino]propanoate Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[[1-(1-naphthylmethyl)piperidin-1-ium-4-carbonyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[[1-(1-naphthalenylmethyl)-4-piperidin-1-iumyl]-oxomethyl]amino]propanoate IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-carbonyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[1-(1-naphthylmethyl)piperidin-1-ium-4-carbonyl]amino]propionate Formula: C28H29N3O3 MolecularWeight: 455.54816

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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=CC5=CC=CC=C54

Isomeric SMILES

C1C[NH+](CCC1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)[O-])CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H29N3O3/c32-27(30-26(28(33)34)16-22-17-29-25-11-4-3-10-24(22)25)20-12-14-31(15-13-20)18-21-8-5-7-19-6-1-2-9-23(19)21/h1-11,17,20,26,29H,12-16,18H2,(H,30,32)(H,33,34)/t26-/m0/s1