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

Systemtic Name: 5-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium Openeye Name: 5-(p-tolyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium CAS Name: 5-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium IUPAC Name: 5-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium Traditional Name: 5-(p-tolyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium Formula: C13H14F3N2+ MolecularWeight: 255.25887

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NCC[NH2+]C(=C2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NCC[NH2+]C(=C2)C(F)(F)F

InChI

InChI=1S/C13H13F3N2/c1-9-2-4-10(5-3-9)11-8-12(13(14,15)16)18-7-6-17-11/h2-5,8,18H,6-7H2,1H3/p+1