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

Systemtic Name: 1-(4-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone CAS Name: 1-(4-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(4-methoxyphenyl)-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)ethanone Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-17(2)18-6-10-21(11-7-18)29(26,27)24-14-12-23(13-15-24)16-22(25)19-4-8-20(28-3)9-5-19/h4-11,17H,12-16H2,1-3H3/p+1