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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-4-ium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-4-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-4-ium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-4-ium Formula: C12H17N2O4S+ MolecularWeight: 285.33938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CN(CC[NH2+]1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C12H16N2O4S/c15-19(16,14-5-3-13-4-6-14)10-1-2-11-12(9-10)18-8-7-17-11/h1-2,9,13H,3-8H2/p+1