4-(4-chlorophenyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]phthalazin-1-one bromide

Systemtic Name: 4-(4-chlorophenyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]phthalazin-1-one bromide Openeye Name: 4-(4-chlorophenyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propyl]phthalazin-1-one bromide CAS Name: 4-(4-chlorophenyl)-2-[3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropyl]-1-phthalazinone bromide IUPAC Name: 4-(4-chlorophenyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]phthalazin-1-one bromide Traditional Name: 4-(4-chlorophenyl)-2-[3-keto-3-(4-methylpiperazin-4-ium-1-yl)propyl]phthalazin-1-one bromide Formula: C22H24BrClN4O2 MolecularWeight: 491.80856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl.[Br-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl.[Br-]

InChI

InChI=1S/C22H23ClN4O2.BrH/c1-25-12-14-26(15-13-25)20(28)10-11-27-22(29)19-5-3-2-4-18(19)21(24-27)16-6-8-17(23)9-7-16;/h2-9H,10-15H2,1H3;1H