2-[2-[4-(3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-6-phenyl-pyridazin-3-one

Systemtic Name: 2-[2-[4-(3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-6-phenyl-pyridazin-3-one Openeye Name: 2-[2-[4-(m-tolylsulfonyl)piperazin-1-ium-1-yl]ethyl]-6-phenyl-pyridazin-3-one CAS Name: 2-[2-[4-(3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-6-phenyl-3-pyridazinone IUPAC Name: 2-[2-[4-(3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-6-phenylpyridazin-3-one Traditional Name: 2-[2-[4-(m-tolylsulfonyl)piperazin-1-ium-1-yl]ethyl]-6-phenyl-pyridazin-3-one Formula: C23H27N4O3S+ MolecularWeight: 439.55048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CCN3C(=O)C=CC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CCN3C(=O)C=CC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c1-19-6-5-9-21(18-19)31(29,30)26-15-12-25(13-16-26)14-17-27-23(28)11-10-22(24-27)20-7-3-2-4-8-20/h2-11,18H,12-17H2,1H3/p+1