3-methyl-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-[4-(trifluoromethyl)benzyl]piperazin-4-ium-1-yl]butan-1-one Formula: C17H24F3N2O+ MolecularWeight: 329.38047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)CC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H23F3N2O/c1-13(2)11-16(23)22-9-7-21(8-10-22)12-14-3-5-15(6-4-14)17(18,19)20/h3-6,13H,7-12H2,1-2H3/p+1