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

Systemtic Name: tert-butyl 1-cyclohexyl-4-(4-fluorophenyl)piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-cyclohexyl-4-(4-fluorophenyl)piperazin-1-ium-1-carboxylate CAS Name: 1-cyclohexyl-4-(4-fluorophenyl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-cyclohexyl-4-(4-fluorophenyl)piperazin-1-ium-1-carboxylate Traditional Name: 1-cyclohexyl-4-(4-fluorophenyl)piperazin-1-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)[N+]1(CCN(CC1)C2=CC=C(C=C2)F)C3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCN(CC1)C2=CC=C(C=C2)F)C3CCCCC3

InChI

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