2-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]ethyl-diethyl-azanium dichloride

Systemtic Name: 2-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]ethyl-diethyl-azanium dichloride Openeye Name: 2-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]ethyl-diethyl-ammonium dichloride CAS Name: 2-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]ethyl-diethylammonium dichloride IUPAC Name: 2-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]ethyl-diethylazanium dichloride Traditional Name: 2-[7-chloro-5-(2-fluorophenyl)-2-keto-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]ethyl-diethyl-ammonium dichloride Formula: C21H27Cl3FN3O MolecularWeight: 462.815983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C[NH2+]C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C[NH2+]C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F.[Cl-].[Cl-]

InChI

InChI=1S/C21H25ClFN3O.2ClH/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23;;/h5-10,13,21,24H,3-4,11-12,14H2,1-2H3;2*1H