4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]benzoic acid

Systemtic Name: 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]benzoic acid Openeye Name: 4-(1-tert-butoxycarbonylpiperazin-1-ium-1-yl)benzoic acid CAS Name: 4-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]benzoic acid IUPAC Name: 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]benzoic acid Traditional Name: 4-(1-tert-butoxycarbonylpiperazin-1-ium-1-yl)benzoic acid Formula: C16H23N2O4+ MolecularWeight: 307.36482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18(10-8-17-9-11-18)13-6-4-12(5-7-13)14(19)20/h4-7,17H,8-11H2,1-3H3/p+1