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

Systemtic Name: 1-(4-ethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(4-ethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-ethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-ethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-p-phenetyl-ethanone Formula: C21H27N2O5S+ MolecularWeight: 419.51448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O5S/c1-3-28-19-6-4-17(5-7-19)21(24)16-22-12-14-23(15-13-22)29(25,26)20-10-8-18(27-2)9-11-20/h4-11H,3,12-16H2,1-2H3/p+1