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

Systemtic Name: 3-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-methyl-azanium dichloride Openeye Name: 3-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-methyl-ammonium dichloride CAS Name: 3-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-methylammonium dichloride IUPAC Name: 3-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-methylazanium dichloride Traditional Name: 3-[7-chloro-5-(2-fluorophenyl)-2-keto-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-methyl-ammonium dichloride Formula: C19H23Cl3FN3O MolecularWeight: 434.762823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClFN3O.2ClH/c1-22-9-4-10-24-17-8-7-13(20)11-15(17)19(23-12-18(24)25)14-5-2-3-6-16(14)21;;/h2-3,5-8,11,19,22-23H,4,9-10,12H2,1H3;2*1H