5-(4-methylpiperazin-4-ium-1-yl)-2-[(4-methylsulfonylphenyl)methyl]pyridazin-3-one

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-[(4-methylsulfonylphenyl)methyl]pyridazin-3-one Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-[(4-methylsulfonylphenyl)methyl]pyridazin-3-one CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-2-[(4-methylsulfonylphenyl)methyl]-3-pyridazinone IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-[(4-methylsulfonylphenyl)methyl]pyridazin-3-one Traditional Name: 2-(4-mesylbenzyl)-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Formula: C17H23N4O3S+ MolecularWeight: 363.45452

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=O)N(N=C2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=O)N(N=C2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H22N4O3S/c1-19-7-9-20(10-8-19)15-11-17(22)21(18-12-15)13-14-3-5-16(6-4-14)25(2,23)24/h3-6,11-12H,7-10,13H2,1-2H3/p+1