heptoxymethyl-(2-hydroxyethyl)-dimethyl-azanium; 6-methyl-2,2-bis(oxidanylidene)-1,2,3-oxathiazin-4-olate

Systemtic Name: heptoxymethyl-(2-hydroxyethyl)-dimethyl-azanium; 6-methyl-2,2-bis(oxidanylidene)-1,2,3-oxathiazin-4-olate Openeye Name: heptoxymethyl-(2-hydroxyethyl)-dimethyl-ammonium; 6-methyl-2,2-dioxo-oxathiazin-4-olate CAS Name: heptoxymethyl-(2-hydroxyethyl)-dimethylammonium; 6-methyl-2,2-dioxo-4-oxathiazinolate IUPAC Name: heptoxymethyl-(2-hydroxyethyl)-dimethylazanium; 6-methyl-2,2-dioxooxathiazin-4-olate Traditional Name: 2,2-diketo-6-methyl-oxathiazin-4-olate; heptoxymethyl-(2-hydroxyethyl)-dimethyl-ammonium Formula: C16H32N2O6S MolecularWeight: 380.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC[N+](C)(C)CCO.CC1=CC(=NS(=O)(=O)O1)[O-]

Isomeric SMILES

CCCCCCCOC[N+](C)(C)CCO.CC1=CC(=NS(=O)(=O)O1)[O-]

InChI

InChI=1S/C12H28NO2.C4H5NO4S/c1-4-5-6-7-8-11-15-12-13(2,3)9-10-14;1-3-2-4(6)5-10(7,8)9-3/h14H,4-12H2,1-3H3;2H,1H3,(H,5,6)/q+1;/p-1