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

Systemtic Name: 4-methyl-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one CAS Name: 4-methyl-2-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 4-methyl-2-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one Formula: C23H29N4O3S+ MolecularWeight: 441.56636

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3S/c1-17(2)19-8-10-20(11-9-19)31(29,30)26-14-12-25(13-15-26)16-27-23(28)22-7-5-4-6-21(22)18(3)24-27/h4-11,17H,12-16H2,1-3H3/p+1