(2-heptadecyl-1,3-oxathiolan-5-yl)methyl-(2-hydroxyethyl)-dimethyl-azanium bromide

Systemtic Name: (2-heptadecyl-1,3-oxathiolan-5-yl)methyl-(2-hydroxyethyl)-dimethyl-azanium bromide Openeye Name: (2-heptadecyl-1,3-oxathiolan-5-yl)methyl-(2-hydroxyethyl)-dimethyl-ammonium bromide CAS Name: (2-heptadecyl-1,3-oxathiolan-5-yl)methyl-(2-hydroxyethyl)-dimethylammonium bromide IUPAC Name: (2-heptadecyl-1,3-oxathiolan-5-yl)methyl-(2-hydroxyethyl)-dimethylazanium bromide Traditional Name: (2-heptadecyl-1,3-oxathiolan-5-yl)methyl-(2-hydroxyethyl)-dimethyl-ammonium bromide Formula: C25H52BrNO2S MolecularWeight: 510.65488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OC(CS1)C[N+](C)(C)CCO.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OC(CS1)C[N+](C)(C)CCO.[Br-]

InChI

InChI=1S/C25H52NO2S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-28-24(23-29-25)22-26(2,3)20-21-27;/h24-25,27H,4-23H2,1-3H3;1H/q+1;/p-1