1-[(2-heptadecyl-1,3-oxathiolan-5-yl)methyl]-1-methyl-pyrrolidin-1-ium bromide

Systemtic Name: 1-[(2-heptadecyl-1,3-oxathiolan-5-yl)methyl]-1-methyl-pyrrolidin-1-ium bromide Openeye Name: 1-[(2-heptadecyl-1,3-oxathiolan-5-yl)methyl]-1-methyl-pyrrolidin-1-ium bromide CAS Name: 1-[(2-heptadecyl-1,3-oxathiolan-5-yl)methyl]-1-methylpyrrolidin-1-ium bromide IUPAC Name: 1-[(2-heptadecyl-1,3-oxathiolan-5-yl)methyl]-1-methylpyrrolidin-1-ium bromide Traditional Name: 1-[(2-heptadecyl-1,3-oxathiolan-5-yl)methyl]-1-methyl-pyrrolidin-1-ium bromide Formula: C26H52BrNOS MolecularWeight: 506.66618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OC(CS1)C[N+]2(CCCC2)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OC(CS1)C[N+]2(CCCC2)C.[Br-]

InChI

InChI=1S/C26H52NOS.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-28-25(24-29-26)23-27(2)21-18-19-22-27;/h25-26H,3-24H2,1-2H3;1H/q+1;/p-1