(4-methyl-1,4-diazepan-4-ium-1-yl)-[3-(trifluoromethyl)phenyl]methanone

Systemtic Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[3-(trifluoromethyl)phenyl]methanone Openeye Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[3-(trifluoromethyl)phenyl]methanone CAS Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[3-(trifluoromethyl)phenyl]methanone IUPAC Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[3-(trifluoromethyl)phenyl]methanone Traditional Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[3-(trifluoromethyl)phenyl]methanone Formula: C14H18F3N2O+ MolecularWeight: 287.30073

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC(=CC=C2)C(F)(F)F

InChI

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