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

Systemtic Name: 5-thiophen-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium Openeye Name: 5-(2-thienyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium CAS Name: 5-thiophen-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium IUPAC Name: 5-thiophen-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium Traditional Name: 5-(2-thienyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-ium Formula: C10H10F3N2S+ MolecularWeight: 247.26001

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C=C([NH2+]1)C(F)(F)F)C2=CC=CS2

Isomeric SMILES

C1CN=C(C=C([NH2+]1)C(F)(F)F)C2=CC=CS2

InChI

InChI=1S/C10H9F3N2S/c11-10(12,13)9-6-7(14-3-4-15-9)8-2-1-5-16-8/h1-2,5-6,15H,3-4H2/p+1