2-(7-bromanyl-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)ethyl-diethyl-azanium chloride

Systemtic Name: 2-(7-bromanyl-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)ethyl-diethyl-azanium chloride Openeye Name: 2-[7-bromo-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-1-yl]ethyl-diethyl-ammonium chloride CAS Name: 2-[7-bromo-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-1-yl]ethyl-diethylammonium chloride IUPAC Name: 2-(7-bromo-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)ethyl-diethylazanium chloride Traditional Name: 2-[7-bromo-2-keto-5-(2-pyridyl)-3H-1,4-benzodiazepin-1-yl]ethyl-diethyl-ammonium chloride Formula: C20H24BrClN4O MolecularWeight: 451.78776

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=N3.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=N3.[Cl-]

InChI

InChI=1S/C20H23BrN4O.ClH/c1-3-24(4-2)11-12-25-18-9-8-15(21)13-16(18)20(23-14-19(25)26)17-7-5-6-10-22-17;/h5-10,13H,3-4,11-12,14H2,1-2H3;1H