dimethyl-[2-[2-oxidanylidene-5-phenyl-7-(trifluoromethyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-1-yl]ethyl]azanium dichloride

Systemtic Name: dimethyl-[2-[2-oxidanylidene-5-phenyl-7-(trifluoromethyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-1-yl]ethyl]azanium dichloride Openeye Name: dimethyl-[2-[2-oxo-5-phenyl-7-(trifluoromethyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-1-yl]ethyl]ammonium dichloride CAS Name: dimethyl-[2-[2-oxo-5-phenyl-7-(trifluoromethyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-1-yl]ethyl]ammonium dichloride IUPAC Name: dimethyl-[2-[2-oxo-5-phenyl-7-(trifluoromethyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-1-yl]ethyl]azanium dichloride Traditional Name: 2-[2-keto-5-phenyl-7-(trifluoromethyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-1-yl]ethyl-dimethyl-ammonium dichloride Formula: C20H22Cl2F3N3O MolecularWeight: 448.30939

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[N+]1=C2C=CC(=CC2=C(NCC1=O)C3=CC=CC=C3)C(F)(F)F.[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)CC[N+]1=C2C=CC(=CC2=C(NCC1=O)C3=CC=CC=C3)C(F)(F)F.[Cl-].[Cl-]

InChI

InChI=1S/C20H20F3N3O.2ClH/c1-25(2)10-11-26-17-9-8-15(20(21,22)23)12-16(17)19(24-13-18(26)27)14-6-4-3-5-7-14;;/h3-9,12H,10-11,13H2,1-2H3;2*1H