1-(1,3-benzodioxol-5-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)ethanone Formula: C22H27N2O5S+ MolecularWeight: 431.52518

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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=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O5S/c1-16(2)17-3-6-19(7-4-17)30(26,27)24-11-9-23(10-12-24)14-20(25)18-5-8-21-22(13-18)29-15-28-21/h3-8,13,16H,9-12,14-15H2,1-2H3/p+1