N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H20F6N3O2+ MolecularWeight: 424.360719

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CC1C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H19F6N3O2/c19-17(20,21)12-7-13(18(22,23)24)9-14(8-12)25-15(28)10-26-3-5-27(6-4-26)16(29)11-1-2-11/h7-9,11H,1-6,10H2,(H,25,28)/p+1