3-(9-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzodiazepin-11-yl)propyl-dimethyl-azanium chloride

Systemtic Name: 3-(9-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzodiazepin-11-yl)propyl-dimethyl-azanium chloride Openeye Name: 3-(9-chloro-6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)propyl-dimethyl-ammonium chloride CAS Name: 3-(9-chloro-6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)propyl-dimethylammonium chloride IUPAC Name: 3-(9-chloro-6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)propyl-dimethylazanium chloride Traditional Name: 3-(9-chloro-6-keto-5H-benzo[b][1,4]benzodiazepin-11-yl)propyl-dimethyl-ammonium chloride Formula: C18H21Cl2N3O MolecularWeight: 366.28484

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=CC=CC=C2NC(=O)C3=C1C=C(C=C3)Cl.[Cl-]

Isomeric SMILES

C[NH+](C)CCCN1C2=CC=CC=C2NC(=O)C3=C1C=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C18H20ClN3O.ClH/c1-21(2)10-5-11-22-16-7-4-3-6-15(16)20-18(23)14-9-8-13(19)12-17(14)22;/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,20,23);1H