2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine

Systemtic Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Openeye Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-4-methyl-6-(4-methyl-1-piperazin-4-iumyl)pyrimidine IUPAC Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Traditional Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Formula: C22H33N6O2S+ MolecularWeight: 445.60142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=CC(=N3)N4CC[NH+](CC4)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=CC(=N3)N4CC[NH+](CC4)C)C)C

InChI

InChI=1S/C22H32N6O2S/c1-17-5-6-20(18(2)15-17)31(29,30)28-13-11-27(12-14-28)22-23-19(3)16-21(24-22)26-9-7-25(4)8-10-26/h5-6,15-16H,7-14H2,1-4H3/p+1