1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methyl-piperazin-4-ium

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methyl-piperazin-4-ium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methyl-piperazin-4-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methylpiperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methylpiperazin-4-ium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methyl-piperazin-4-ium Formula: C13H19N2O4S+ MolecularWeight: 299.36596

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

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