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

Systemtic Name: 2-acetyloxyethyl-(heptoxymethyl)-dimethyl-azanium; 6-methyl-2,2-bis(oxidanylidene)-1,2,3-oxathiazin-4-olate Openeye Name: 2-acetoxyethyl-(heptoxymethyl)-dimethyl-ammonium; 6-methyl-2,2-dioxo-oxathiazin-4-olate CAS Name: 2-acetyloxyethyl-(heptoxymethyl)-dimethylammonium; 6-methyl-2,2-dioxo-4-oxathiazinolate IUPAC Name: 2-acetyloxyethyl-(heptoxymethyl)-dimethylazanium; 6-methyl-2,2-dioxooxathiazin-4-olate Traditional Name: 2-acetoxyethyl-(heptoxymethyl)-dimethyl-ammonium; 2,2-diketo-6-methyl-oxathiazin-4-olate Formula: C18H34N2O7S MolecularWeight: 422.53676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H30NO3.C4H5NO4S/c1-5-6-7-8-9-11-17-13-15(3,4)10-12-18-14(2)16;1-3-2-4(6)5-10(7,8)9-3/h5-13H2,1-4H3;2H,1H3,(H,5,6)/q+1;/p-1