2-methyl-4-(4-methylpiperazin-4-ium-1-yl)-6-(phenylsulfonylmethyl)pyrimidine

Systemtic Name: 2-methyl-4-(4-methylpiperazin-4-ium-1-yl)-6-(phenylsulfonylmethyl)pyrimidine Openeye Name: 4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine CAS Name: 4-(benzenesulfonylmethyl)-2-methyl-6-(4-methyl-1-piperazin-4-iumyl)pyrimidine IUPAC Name: 4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Traditional Name: 4-(besylmethyl)-2-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N2CC[NH+](CC2)C)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC(=N1)N2CC[NH+](CC2)C)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4O2S/c1-14-18-15(13-24(22,23)16-6-4-3-5-7-16)12-17(19-14)21-10-8-20(2)9-11-21/h3-7,12H,8-11,13H2,1-2H3/p+1