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

Systemtic Name: 3-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-diethyl-azanium dichloride Openeye Name: 3-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-diethyl-ammonium dichloride CAS Name: 3-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-diethylammonium dichloride IUPAC Name: 3-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-diethylazanium dichloride Traditional Name: 3-[7-chloro-5-(2-fluorophenyl)-2-keto-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-diethyl-ammonium dichloride Formula: C22H29Cl3FN3O MolecularWeight: 476.842563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClFN3O.2ClH/c1-3-26(4-2)12-7-13-27-20-11-10-16(23)14-18(20)22(25-15-21(27)28)17-8-5-6-9-19(17)24;;/h5-6,8-11,14,22,25H,3-4,7,12-13,15H2,1-2H3;2*1H