5-(2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium

Systemtic Name: 5-(2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium Openeye Name: 5-(2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium CAS Name: 5-(2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium IUPAC Name: 5-(2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium Traditional Name: 5-(2-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium Formula: C13H14F3N2O+ MolecularWeight: 271.25827

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NCC[NH2+]C(=C2)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C2=NCC[NH2+]C(=C2)C(F)(F)F

InChI

InChI=1S/C13H13F3N2O/c1-19-11-5-3-2-4-9(11)10-8-12(13(14,15)16)18-7-6-17-10/h2-5,8,18H,6-7H2,1H3/p+1