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

Systemtic Name: 5-(4-bromophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium Openeye Name: 5-(4-bromophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium CAS Name: 5-(4-bromophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium IUPAC Name: 5-(4-bromophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium Traditional Name: 5-(4-bromophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium Formula: C12H11BrF3N2+ MolecularWeight: 320.12835

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C=C([NH2+]1)C(F)(F)F)C2=CC=C(C=C2)Br

Isomeric SMILES

C1CN=C(C=C([NH2+]1)C(F)(F)F)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H10BrF3N2/c13-9-3-1-8(2-4-9)10-7-11(12(14,15)16)18-6-5-17-10/h1-4,7,18H,5-6H2/p+1