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

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

Systemtic Name:6-bromanyl-5-thiophen-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium
Openeye Name:6-bromo-5-(2-thienyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium
CAS Name:6-bromo-5-thiophen-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium
IUPAC Name:6-bromo-5-thiophen-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium
Traditional Name:6-bromo-5-(2-thienyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium
Formula: C10H9BrF3N2S+
MolecularWeight: 326.15607
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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(C(=C(N1)C(F)(F)F)Br)C2=CC=CS2


Isomeric SMILES

C1C[NH+]=C(C(=C(N1)C(F)(F)F)Br)C2=CC=CS2


InChI

InChI=1S/C10H8BrF3N2S/c11-7-8(6-2-1-5-17-6)15-3-4-16-9(7)10(12,13)14/h1-2,5,16H,3-4H2/p+1


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