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

Systemtic Name: 6-bromanyl-7-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium bromide Openeye Name: 6-bromo-7-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium bromide CAS Name: 6-bromo-7-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium bromide IUPAC Name: 6-bromo-7-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium bromide Traditional Name: 6-bromo-7-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium bromide Formula: C7H9Br2F3N2 MolecularWeight: 337.96297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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