2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-phenyl-phthalazin-1-one dichloride

Systemtic Name: 2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-phenyl-phthalazin-1-one dichloride Openeye Name: 2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-phenyl-phthalazin-1-one dichloride CAS Name: 2-[2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-4-phenyl-1-phthalazinone dichloride IUPAC Name: 2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-phenylphthalazin-1-one dichloride Traditional Name: 2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-phenyl-phthalazin-1-one dichloride Formula: C21H26Cl2N4O MolecularWeight: 421.36334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O.2ClH/c1-23-11-13-24(14-12-23)15-16-25-21(26)19-10-6-5-9-18(19)20(22-25)17-7-3-2-4-8-17;;/h2-10H,11-16H2,1H3;2*1H