N-[(1R,2R)-2-tert-butylcyclohexyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1R,2R)-2-tert-butylcyclohexyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R,2R)-2-tert-butylcyclohexyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R,2R)-2-tert-butylcyclohexyl]-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R,2R)-2-tert-butylcyclohexyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R,2R)-2-tert-butylcyclohexyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H35FN3O+ MolecularWeight: 376.531203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCCCC1NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H34FN3O/c1-22(2,3)19-6-4-5-7-20(19)24-21(27)16-25-12-14-26(15-13-25)18-10-8-17(23)9-11-18/h8-11,19-20H,4-7,12-16H2,1-3H3,(H,24,27)/p+1/t19-,20+/m0/s1