4-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonyl-4-methyl-phenyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonyl-4-methyl-phenyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonyl-4-methyl-phenyl]-2-methyl-phthalazin-1-one CAS Name: 4-[3-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]sulfonyl]-4-methylphenyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonyl-4-methylphenyl]-2-methylphthalazin-1-one Traditional Name: 4-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonyl-4-methyl-phenyl]-2-methyl-phthalazin-1-one Formula: C22H27N4O4S+ MolecularWeight: 443.53918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)N4CC[NH+](CC4)CCO

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)N4CC[NH+](CC4)CCO

InChI

InChI=1S/C22H26N4O4S/c1-16-7-8-17(21-18-5-3-4-6-19(18)22(28)24(2)23-21)15-20(16)31(29,30)26-11-9-25(10-12-26)13-14-27/h3-8,15,27H,9-14H2,1-2H3/p+1