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

Systemtic Name: 4-methyl-6-(4-methylpiperazin-4-ium-1-yl)-2-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 4-methyl-6-(4-methylpiperazin-4-ium-1-yl)-2-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine CAS Name: 4-methyl-6-(4-methyl-1-piperazin-4-iumyl)-2-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 4-methyl-6-(4-methylpiperazin-4-ium-1-yl)-2-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 4-methyl-6-(4-methylpiperazin-4-ium-1-yl)-2-[4-(4-phenoxyphenyl)sulfonylpiperazino]pyrimidine Formula: C26H33N6O3S+ MolecularWeight: 509.64362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)N5CC[NH+](CC5)C

InChI

InChI=1S/C26H32N6O3S/c1-21-20-25(30-14-12-29(2)13-15-30)28-26(27-21)31-16-18-32(19-17-31)36(33,34)24-10-8-23(9-11-24)35-22-6-4-3-5-7-22/h3-11,20H,12-19H2,1-2H3/p+1