tert-butyl 4-cyclohexyl-4-(4-fluorophenyl)piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-cyclohexyl-4-(4-fluorophenyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-cyclohexyl-4-(4-fluorophenyl)piperazin-4-ium-1-carboxylate CAS Name: 4-cyclohexyl-4-(4-fluorophenyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-cyclohexyl-4-(4-fluorophenyl)piperazin-4-ium-1-carboxylate Traditional Name: 4-cyclohexyl-4-(4-fluorophenyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C21H32FN2O2+ MolecularWeight: 363.489383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[N+](CC1)(C2CCCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[N+](CC1)(C2CCCCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H32FN2O2/c1-21(2,3)26-20(25)23-13-15-24(16-14-23,18-7-5-4-6-8-18)19-11-9-17(22)10-12-19/h9-12,18H,4-8,13-16H2,1-3H3/q+1