2-[1-(4-tert-butylcyclohexyl)piperazin-1-ium-1-yl]benzoic acid

Systemtic Name: 2-[1-(4-tert-butylcyclohexyl)piperazin-1-ium-1-yl]benzoic acid Openeye Name: 2-[1-(4-tert-butylcyclohexyl)piperazin-1-ium-1-yl]benzoic acid CAS Name: 2-[1-(4-tert-butylcyclohexyl)-1-piperazin-1-iumyl]benzoic acid IUPAC Name: 2-[1-(4-tert-butylcyclohexyl)piperazin-1-ium-1-yl]benzoic acid Traditional Name: 2-[1-(4-tert-butylcyclohexyl)piperazin-1-ium-1-yl]benzoic acid Formula: C21H33N2O2+ MolecularWeight: 345.49892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)[N+]2(CCNCC2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)(C)C1CCC(CC1)[N+]2(CCNCC2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H32N2O2/c1-21(2,3)16-8-10-17(11-9-16)23(14-12-22-13-15-23)19-7-5-4-6-18(19)20(24)25/h4-7,16-17,22H,8-15H2,1-3H3/p+1