5,7-dimethyl-6-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-1,4-diazepin-4-ium

Systemtic Name: 5,7-dimethyl-6-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-1,4-diazepin-4-ium Openeye Name: 5,7-dimethyl-6-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-1,4-diazepin-4-ium CAS Name: 5,7-dimethyl-6-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-1,4-diazepin-4-ium IUPAC Name: 5,7-dimethyl-6-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-1,4-diazepin-4-ium Traditional Name: 5,7-dimethyl-6-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-1,4-diazepin-4-ium Formula: C14H16F3N2O+ MolecularWeight: 285.28485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]CCN1)C)OC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC1=C(C(=[NH+]CCN1)C)OC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C14H15F3N2O/c1-9-13(10(2)19-7-6-18-9)20-12-5-3-4-11(8-12)14(15,16)17/h3-5,8,18H,6-7H2,1-2H3/p+1