1,4-diazepan-4-ium-1-yl-[2-(trifluoromethyl)phenyl]methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-[2-(trifluoromethyl)phenyl]methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-[2-(trifluoromethyl)phenyl]methanone CAS Name: 1,4-diazepan-4-ium-1-yl-[2-(trifluoromethyl)phenyl]methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-[2-(trifluoromethyl)phenyl]methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-[2-(trifluoromethyl)phenyl]methanone Formula: C13H16F3N2O+ MolecularWeight: 273.27415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C13H15F3N2O/c14-13(15,16)11-5-2-1-4-10(11)12(19)18-8-3-6-17-7-9-18/h1-2,4-5,17H,3,6-9H2/p+1