S-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl] octadecanethioate iodide

Systemtic Name: S-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl] octadecanethioate iodide Openeye Name: S-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl] octadecanethioate iodide CAS Name: octadecanethioic acid S-[2-(1-methyl-1-pyrrolidin-1-iumyl)ethyl] ester iodide IUPAC Name: S-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl] octadecanethioate iodide Traditional Name: octadecanethioic acid S-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl] ester iodide Formula: C25H50INOS MolecularWeight: 539.64007

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)SCC[N+]1(CCCC1)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)SCC[N+]1(CCCC1)C.[I-]

InChI

InChI=1S/C25H50NOS.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(27)28-24-23-26(2)21-18-19-22-26;/h3-24H2,1-2H3;1H/q+1;/p-1