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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methyl-1,4-diazepan-4-ium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methyl-1,4-diazepan-4-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methyl-1,4-diazepan-4-ium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methyl-1,4-diazepan-4-ium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methyl-1,4-diazepan-4-ium Formula: C14H21N2O4S+ MolecularWeight: 313.39254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-15-5-2-6-16(8-7-15)21(17,18)12-3-4-13-14(11-12)20-10-9-19-13/h3-4,11H,2,5-10H2,1H3/p+1