1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylphenyl)sulfonyl-piperazin-1-ium chloride

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylphenyl)sulfonyl-piperazin-1-ium chloride Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(p-tolylsulfonyl)piperazin-1-ium chloride CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride Traditional Name: 1-piperonyl-4-tosyl-piperazin-1-ium chloride Formula: C19H23ClN2O4S MolecularWeight: 410.91492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4.[Cl-]

InChI

InChI=1S/C19H22N2O4S.ClH/c1-15-2-5-17(6-3-15)26(22,23)21-10-8-20(9-11-21)13-16-4-7-18-19(12-16)25-14-24-18;/h2-7,12H,8-11,13-14H2,1H3;1H