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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[NH+]CCNC(=C2)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=[NH+]CCNC(=C2)C(F)(F)F

InChI

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