1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(phenylsulfonyl)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(phenylsulfonyl)ethanone Openeye Name: 2-(benzenesulfonyl)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(benzenesulfonyl)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(benzenesulfonyl)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-besyl-1-(4-piperonylpiperazin-4-ium-1-yl)ethanone Formula: C20H23N2O5S+ MolecularWeight: 403.47202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H22N2O5S/c23-20(14-28(24,25)17-4-2-1-3-5-17)22-10-8-21(9-11-22)13-16-6-7-18-19(12-16)27-15-26-18/h1-7,12H,8-11,13-15H2/p+1