2-[[4-[2,6-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[[4-[2,6-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one CAS Name: 2-[[4-(2,6-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methylphthalazin-1-one Traditional Name: 2-[[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one Formula: C20H21Cl2N4O3S+ MolecularWeight: 468.37674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C20H20Cl2N4O3S/c1-14-15-5-2-3-6-16(15)20(27)26(23-14)13-24-9-11-25(12-10-24)30(28,29)19-17(21)7-4-8-18(19)22/h2-8H,9-13H2,1H3/p+1