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S-(2-pyridin-1-ium-1-ylethyl) octadecanethioate iodide

S-(2-pyridin-1-ium-1-ylethyl) octadecanethioate iodide

Systemtic Name:S-(2-pyridin-1-ium-1-ylethyl) octadecanethioate iodide
Openeye Name:S-(2-pyridin-1-ium-1-ylethyl) octadecanethioate iodide
CAS Name:octadecanethioic acid S-[2-(1-pyridin-1-iumyl)ethyl] ester iodide
IUPAC Name:S-(2-pyridin-1-ium-1-ylethyl) octadecanethioate iodide
Traditional Name:octadecanethioic acid S-(2-pyridin-1-ium-1-ylethyl) ester iodide
Formula: C25H44INOS
MolecularWeight: 533.59243
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)SCC[N+]1=CC=CC=C1.[I-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)SCC[N+]1=CC=CC=C1.[I-]


InChI

InChI=1S/C25H44NOS.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-25(27)28-24-23-26-21-18-16-19-22-26;/h16,18-19,21-22H,2-15,17,20,23-24H2,1H3;1H/q+1;/p-1


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