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

Systemtic Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Openeye Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine CAS Name: 2-[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]-4-methyl-6-(4-methyl-1-piperazin-4-iumyl)pyrimidine IUPAC Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Traditional Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazino]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Formula: C24H37N6O3S+ MolecularWeight: 489.65398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=CC(=N3)N4CC[NH+](CC4)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=CC(=N3)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C24H36N6O3S/c1-4-5-18-33-21-6-8-22(9-7-21)34(31,32)30-16-14-29(15-17-30)24-25-20(2)19-23(26-24)28-12-10-27(3)11-13-28/h6-9,19H,4-5,10-18H2,1-3H3/p+1