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

Systemtic Name: 1-[4-methoxy-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[(4-tosylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C21H26N2O4S/c1-16-4-7-20(8-5-16)28(25,26)23-12-10-22(11-13-23)15-19-14-18(17(2)24)6-9-21(19)27-3/h4-9,14H,10-13,15H2,1-3H3/p+1