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

Systemtic Name: cyclododecyloxymethyl-(2-hydroxyethyl)-dimethyl-azanium; 6-methyl-2,2-bis(oxidanylidene)-1,2,3-oxathiazin-4-olate Openeye Name: cyclododecoxymethyl-(2-hydroxyethyl)-dimethyl-ammonium; 6-methyl-2,2-dioxo-oxathiazin-4-olate CAS Name: cyclododecyloxymethyl-(2-hydroxyethyl)-dimethylammonium; 6-methyl-2,2-dioxo-4-oxathiazinolate IUPAC Name: cyclododecyloxymethyl-(2-hydroxyethyl)-dimethylazanium; 6-methyl-2,2-dioxooxathiazin-4-olate Traditional Name: cyclododecoxymethyl-(2-hydroxyethyl)-dimethyl-ammonium; 2,2-diketo-6-methyl-oxathiazin-4-olate Formula: C21H40N2O6S MolecularWeight: 448.6171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NS(=O)(=O)O1)[O-].C[N+](C)(CCO)COC1CCCCCCCCCCC1

Isomeric SMILES

CC1=CC(=NS(=O)(=O)O1)[O-].C[N+](C)(CCO)COC1CCCCCCCCCCC1

InChI

InChI=1S/C17H36NO2.C4H5NO4S/c1-18(2,14-15-19)16-20-17-12-10-8-6-4-3-5-7-9-11-13-17;1-3-2-4(6)5-10(7,8)9-3/h17,19H,3-16H2,1-2H3;2H,1H3,(H,5,6)/q+1;/p-1