2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-[2-piperidino-5-(trifluoromethyl)phenyl]acetamide Formula: C22H30F3N4O2+ MolecularWeight: 439.49441

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C22H29F3N4O2/c23-22(24,25)17-6-7-19(28-8-2-1-3-9-28)18(14-17)26-20(30)15-27-10-12-29(13-11-27)21(31)16-4-5-16/h6-7,14,16H,1-5,8-13,15H2,(H,26,30)/p+1