1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC)C

InChI

InChI=1S/C25H34N4O4S/c1-20-7-8-24(21(2)17-20)34(31,32)29-15-13-28(14-16-29)25(30)19-26-9-11-27(12-10-26)22-5-4-6-23(18-22)33-3/h4-8,17-18H,9-16,19H2,1-3H3/p+1