2-[4-(3-cyclohexylpropanoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(3-cyclohexylpropanoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(3-cyclohexylpropanoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-(3-cyclohexyl-1-oxopropyl)-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(3-cyclohexylpropanoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(3-cyclohexylpropanoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C22H31F3N3O2+ MolecularWeight: 426.49565

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CCC(CC1)CCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H30F3N3O2/c23-22(24,25)18-8-4-5-9-19(18)26-20(29)16-27-12-14-28(15-13-27)21(30)11-10-17-6-2-1-3-7-17/h4-5,8-9,17H,1-3,6-7,10-16H2,(H,26,29)/p+1