5-methoxy-2-(4-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyridazin-3-one

Systemtic Name: 5-methoxy-2-(4-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyridazin-3-one Openeye Name: 5-methoxy-6-(4-methylpiperazin-4-ium-1-carbonyl)-2-(p-tolyl)pyridazin-3-one CAS Name: 5-methoxy-2-(4-methylphenyl)-6-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-3-pyridazinone IUPAC Name: 5-methoxy-2-(4-methylphenyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one Traditional Name: 5-methoxy-6-(4-methylpiperazin-4-ium-1-carbonyl)-2-(p-tolyl)pyridazin-3-one Formula: C18H23N4O3+ MolecularWeight: 343.40022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C=C(C(=N2)C(=O)N3CC[NH+](CC3)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C=C(C(=N2)C(=O)N3CC[NH+](CC3)C)OC

InChI

InChI=1S/C18H22N4O3/c1-13-4-6-14(7-5-13)22-16(23)12-15(25-3)17(19-22)18(24)21-10-8-20(2)9-11-21/h4-7,12H,8-11H2,1-3H3/p+1