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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylsulfanylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylsulfanylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(methylthio)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[4-(methylthio)phenyl]sulfonyl-4-piperonyl-piperazin-4-ium Formula: C19H23N2O4S2+ MolecularWeight: 407.52692

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H22N2O4S2/c1-26-16-3-5-17(6-4-16)27(22,23)21-10-8-20(9-11-21)13-15-2-7-18-19(12-15)25-14-24-18/h2-7,12H,8-11,13-14H2,1H3/p+1