2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-1-phenyl-indazol-3-one dichloride

Systemtic Name: 2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-1-phenyl-indazol-3-one dichloride Openeye Name: 2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-1-phenyl-indazol-3-one dichloride CAS Name: 2-[2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-1-phenyl-3-indazolone dichloride IUPAC Name: 2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-1-phenylindazol-3-one dichloride Traditional Name: 2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-1-phenyl-indazolin-3-one dichloride Formula: C20H26Cl2N4O MolecularWeight: 409.35264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCN2C(=O)C3=CC=CC=C3N2C4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCN2C(=O)C3=CC=CC=C3N2C4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C20H24N4O.2ClH/c1-21-11-13-22(14-12-21)15-16-23-20(25)18-9-5-6-10-19(18)24(23)17-7-3-2-4-8-17;;/h2-10H,11-16H2,1H3;2*1H