4-phenyl-2-(trifluoromethyl)-1H-1,5-benzodiazepin-5-ium chloride

Systemtic Name: 4-phenyl-2-(trifluoromethyl)-1H-1,5-benzodiazepin-5-ium chloride Openeye Name: 4-phenyl-2-(trifluoromethyl)-1H-1,5-benzodiazepin-5-ium chloride CAS Name: 4-phenyl-2-(trifluoromethyl)-1H-1,5-benzodiazepin-5-ium chloride IUPAC Name: 4-phenyl-2-(trifluoromethyl)-1H-1,5-benzodiazepin-5-ium chloride Traditional Name: 4-phenyl-2-(trifluoromethyl)-1H-1,5-benzodiazepin-5-ium chloride Formula: C16H12ClF3N2 MolecularWeight: 324.72809

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[NH+]C3=CC=CC=C3NC(=C2)C(F)(F)F.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=[NH+]C3=CC=CC=C3NC(=C2)C(F)(F)F.[Cl-]

InChI

InChI=1S/C16H11F3N2.ClH/c17-16(18,19)15-10-14(11-6-2-1-3-7-11)20-12-8-4-5-9-13(12)21-15;/h1-10,21H;1H