(2S)-2-(1H-indol-3-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(1H-indol-3-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-(1H-indol-3-yl)acetate CAS Name: (2S)-2-(1H-indol-3-yl)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(1H-indol-3-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-(1H-indol-3-yl)acetate Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)C(C2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)[C@@H](C2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C19H25N3O4/c1-19(2,3)26-18(25)22-10-8-21(9-11-22)16(17(23)24)14-12-20-15-7-5-4-6-13(14)15/h4-7,12,16,20H,8-11H2,1-3H3,(H,23,24)/t16-/m0/s1