1-[4-methoxy-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C21H27N2O5S+ MolecularWeight: 419.51448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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