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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C13H18N2O4S/c16-20(17,15-6-1-4-14-5-7-15)11-2-3-12-13(10-11)19-9-8-18-12/h2-3,10,14H,1,4-9H2/p+1