(2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-phenyl-ethanoate

Systemtic Name: (2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-phenyl-ethanoate Openeye Name: (2R)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-phenyl-acetate CAS Name: (2R)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]-2-phenylacetate IUPAC Name: (2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-phenylacetate Traditional Name: (2R)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-phenyl-acetate Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-11-9-18(10-12-19)14(15(20)21)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,21)/t14-/m1/s1