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

Systemtic Name: 4-(2-methoxyethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-(2-methoxyethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-(2-methoxyethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(2-methoxyethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzyl]-1,4-diazepan-1-ium-5-one Formula: C16H22F3N2O2+ MolecularWeight: 331.35329

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CC[NH+](CCC1=O)CC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

COCCN1CC[NH+](CCC1=O)CC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C16H21F3N2O2/c1-23-11-10-21-9-8-20(7-6-15(21)22)12-13-4-2-3-5-14(13)16(17,18)19/h2-5H,6-12H2,1H3/p+1