4,5-bis(chloranyl)-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridazin-3-one

Systemtic Name: 4,5-bis(chloranyl)-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridazin-3-one Openeye Name: 4,5-dichloro-2-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridazin-3-one CAS Name: 4,5-dichloro-2-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-pyridazinone IUPAC Name: 4,5-dichloro-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridazin-3-one Traditional Name: 4,5-dichloro-2-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]pyridazin-3-one Formula: C18H23Cl2N4O3S+ MolecularWeight: 446.37122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C(=C(C=N3)Cl)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C(=C(C=N3)Cl)Cl

InChI

InChI=1S/C18H22Cl2N4O3S/c1-13(2)14-3-5-15(6-4-14)28(26,27)23-9-7-22(8-10-23)12-24-18(25)17(20)16(19)11-21-24/h3-6,11,13H,7-10,12H2,1-2H3/p+1