4-[(2-heptadecyl-1,3-oxathiolan-4-yl)methyl]-4-methyl-morpholin-4-ium bromide

Systemtic Name: 4-[(2-heptadecyl-1,3-oxathiolan-4-yl)methyl]-4-methyl-morpholin-4-ium bromide Openeye Name: 4-[(2-heptadecyl-1,3-oxathiolan-4-yl)methyl]-4-methyl-morpholin-4-ium bromide CAS Name: 4-[(2-heptadecyl-1,3-oxathiolan-4-yl)methyl]-4-methylmorpholin-4-ium bromide IUPAC Name: 4-[(2-heptadecyl-1,3-oxathiolan-4-yl)methyl]-4-methylmorpholin-4-ium bromide Traditional Name: 4-[(2-heptadecyl-1,3-oxathiolan-4-yl)methyl]-4-methyl-morpholin-4-ium bromide Formula: C26H52BrNO2S MolecularWeight: 522.66558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(S1)C[N+]2(CCOCC2)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(S1)C[N+]2(CCOCC2)C.[Br-]

InChI

InChI=1S/C26H52NO2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-29-24-25(30-26)23-27(2)19-21-28-22-20-27;/h25-26H,3-24H2,1-2H3;1H/q+1;/p-1