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

Systemtic Name: 2-acetyloxyethyl-(butoxymethyl)-dimethyl-azanium; 6-methyl-2,2-bis(oxidanylidene)-1,2,3-oxathiazin-4-olate Openeye Name: 2-acetoxyethyl-(butoxymethyl)-dimethyl-ammonium; 6-methyl-2,2-dioxo-oxathiazin-4-olate CAS Name: 2-acetyloxyethyl-(butoxymethyl)-dimethylammonium; 6-methyl-2,2-dioxo-4-oxathiazinolate IUPAC Name: 2-acetyloxyethyl-(butoxymethyl)-dimethylazanium; 6-methyl-2,2-dioxooxathiazin-4-olate Traditional Name: 2-acetoxyethyl-(butoxymethyl)-dimethyl-ammonium; 2,2-diketo-6-methyl-oxathiazin-4-olate Formula: C15H28N2O7S MolecularWeight: 380.45702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC[N+](C)(C)CCOC(=O)C.CC1=CC(=NS(=O)(=O)O1)[O-]

Isomeric SMILES

CCCCOC[N+](C)(C)CCOC(=O)C.CC1=CC(=NS(=O)(=O)O1)[O-]

InChI

InChI=1S/C11H24NO3.C4H5NO4S/c1-5-6-8-14-10-12(3,4)7-9-15-11(2)13;1-3-2-4(6)5-10(7,8)9-3/h5-10H2,1-4H3;2H,1H3,(H,5,6)/q+1;/p-1