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

Systemtic Name: 3-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-dimethyl-azanium dichloride Openeye Name: 3-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-dimethyl-ammonium dichloride CAS Name: 3-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-dimethylammonium dichloride IUPAC Name: 3-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-dimethylazanium dichloride Traditional Name: 3-[7-chloro-5-(2-fluorophenyl)-2-keto-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-dimethyl-ammonium dichloride Formula: C20H25Cl3FN3O MolecularWeight: 448.789403

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=O)C[NH2+]C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F.[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)CCCN1C(=O)C[NH2+]C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F.[Cl-].[Cl-]

InChI

InChI=1S/C20H23ClFN3O.2ClH/c1-24(2)10-5-11-25-18-9-8-14(21)12-16(18)20(23-13-19(25)26)15-6-3-4-7-17(15)22;;/h3-4,6-9,12,20,23H,5,10-11,13H2,1-2H3;2*1H