2-[4-[(4-bromophenyl)methyl]-1-oxidanylidene-phthalazin-2-yl]ethyl-diethyl-azanium chloride

Systemtic Name: 2-[4-[(4-bromophenyl)methyl]-1-oxidanylidene-phthalazin-2-yl]ethyl-diethyl-azanium chloride Openeye Name: 2-[4-[(4-bromophenyl)methyl]-1-oxo-phthalazin-2-yl]ethyl-diethyl-ammonium chloride CAS Name: 2-[4-[(4-bromophenyl)methyl]-1-oxo-2-phthalazinyl]ethyl-diethylammonium chloride IUPAC Name: 2-[4-[(4-bromophenyl)methyl]-1-oxophthalazin-2-yl]ethyl-diethylazanium chloride Traditional Name: 2-[4-(4-bromobenzyl)-1-keto-phthalazin-2-yl]ethyl-diethyl-ammonium chloride Formula: C21H25BrClN3O MolecularWeight: 450.7997

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)Br.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)Br.[Cl-]

InChI

InChI=1S/C21H24BrN3O.ClH/c1-3-24(4-2)13-14-25-21(26)19-8-6-5-7-18(19)20(23-25)15-16-9-11-17(22)12-10-16;/h5-12H,3-4,13-15H2,1-2H3;1H