1-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C20H25N2O5S+ MolecularWeight: 405.4879

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H24N2O5S/c1-26-17-5-3-16(4-6-17)20(23)15-21-11-13-22(14-12-21)28(24,25)19-9-7-18(27-2)8-10-19/h3-10H,11-15H2,1-2H3/p+1