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

Systemtic Name: (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethanoate Openeye Name: (2S)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-(3-pyridyl)acetate CAS Name: (2S)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]-2-(3-pyridinyl)acetate IUPAC Name: (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-pyridin-3-ylacetate Traditional Name: (2S)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-(3-pyridyl)acetate Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-16(2,3)23-15(22)19-9-7-18(8-10-19)13(14(20)21)12-5-4-6-17-11-12/h4-6,11,13H,7-10H2,1-3H3,(H,20,21)/t13-/m0/s1