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

Systemtic Name: (2S)-2-(2-methyl-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-(2-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(2-methyl-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-(2-methyl-1H-indol-3-yl)acetate Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)[O-])[NH+]3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C(=O)[O-])[NH+]3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27N3O4/c1-13-16(14-7-5-6-8-15(14)21-13)17(18(24)25)22-9-11-23(12-10-22)19(26)27-20(2,3)4/h5-8,17,21H,9-12H2,1-4H3,(H,24,25)/t17-/m0/s1