4-prop-2-enyl-1-[[4-(trifluoromethyloxy)phenyl]methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-prop-2-enyl-1-[[4-(trifluoromethyloxy)phenyl]methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-allyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-prop-2-enyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-prop-2-enyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-allyl-1-[4-(trifluoromethoxy)benzyl]-1,4-diazepan-1-ium-5-one Formula: C16H20F3N2O2+ MolecularWeight: 329.33741

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

C=CCN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C16H19F3N2O2/c1-2-8-21-11-10-20(9-7-15(21)22)12-13-3-5-14(6-4-13)23-16(17,18)19/h2-6H,1,7-12H2/p+1