6-bromanyl-7-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium

Systemtic Name: 6-bromanyl-7-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium Openeye Name: 6-bromo-7-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium CAS Name: 6-bromo-7-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium IUPAC Name: 6-bromo-7-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium Traditional Name: 6-bromo-7-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium Formula: C7H9BrF3N2+ MolecularWeight: 258.05897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]CCN1)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=[NH+]CCN1)C(F)(F)F)Br

InChI

InChI=1S/C7H8BrF3N2/c1-4-5(8)6(7(9,10)11)13-3-2-12-4/h12H,2-3H2,1H3/p+1