4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-methyl-1-[2-(trifluoromethyl)benzyl]-1,4-diazepan-1-ium-5-one Formula: C14H18F3N2O+ MolecularWeight: 287.30073

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CCC1=O)CC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CN1CC[NH+](CCC1=O)CC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C14H17F3N2O/c1-18-8-9-19(7-6-13(18)20)10-11-4-2-3-5-12(11)14(15,16)17/h2-5H,6-10H2,1H3/p+1