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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazin-1-ium Traditional Name: 1-mesyl-4-piperonyl-piperazin-4-ium Formula: C13H19N2O4S+ MolecularWeight: 299.36596

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H18N2O4S/c1-20(16,17)15-6-4-14(5-7-15)9-11-2-3-12-13(8-11)19-10-18-12/h2-3,8H,4-7,9-10H2,1H3/p+1