1-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(3-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-(3-methoxyphenyl)ethanone CAS Name: 1-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(3-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(=CC=C3)OC

Isomeric SMILES

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

InChI

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