3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]methyl]benzoate

Systemtic Name: 3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: 3-[(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)methyl]benzoate CAS Name: 3-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]methyl]benzoate IUPAC Name: 3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)methyl]benzoate Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)CC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)CC2=CC=CC(=C2)C(=O)[O-]

InChI

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