1-[4-ethoxy-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[4-ethoxy-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[(4-tosylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-4-28-22-10-7-19(18(3)25)15-20(22)16-23-11-13-24(14-12-23)29(26,27)21-8-5-17(2)6-9-21/h5-10,15H,4,11-14,16H2,1-3H3/p+1