(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(phenylmethyl)piperazin-1-ium-2-carboxylate

Systemtic Name: (2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(phenylmethyl)piperazin-1-ium-2-carboxylate Openeye Name: (2S)-1-benzyl-4-tert-butoxycarbonyl-piperazin-1-ium-2-carboxylate CAS Name: (2S)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-(phenylmethyl)-2-piperazin-1-iumcarboxylate IUPAC Name: (2S)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-2-carboxylate Traditional Name: (2S)-1-benzyl-4-tert-butoxycarbonyl-piperazin-1-ium-2-carboxylate Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](C(C1)C(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+]([C@@H](C1)C(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-10-9-18(14(12-19)15(20)21)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,21)/t14-/m0/s1