2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one CAS Name: 2-[[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methylphthalazin-1-one Traditional Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one Formula: C21H25N4O4S+ MolecularWeight: 429.5126

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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=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S/c1-16-19-5-3-4-6-20(19)21(26)25(22-16)15-23-11-13-24(14-12-23)30(27,28)18-9-7-17(29-2)8-10-18/h3-10H,11-15H2,1-2H3/p+1