S-(2-pyridin-1-ium-1-ylethyl) hexadecanethioate

Systemtic Name: S-(2-pyridin-1-ium-1-ylethyl) hexadecanethioate Openeye Name: S-(2-pyridin-1-ium-1-ylethyl) hexadecanethioate CAS Name: hexadecanethioic acid S-[2-(1-pyridin-1-iumyl)ethyl] ester IUPAC Name: S-(2-pyridin-1-ium-1-ylethyl) hexadecanethioate Traditional Name: hexadecanethioic acid S-(2-pyridin-1-ium-1-ylethyl) ester Formula: C23H40NOS+ MolecularWeight: 378.6348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)SCC[N+]1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)SCC[N+]1=CC=CC=C1

InChI

InChI=1S/C23H40NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-23(25)26-22-21-24-19-16-14-17-20-24/h14,16-17,19-20H,2-13,15,18,21-22H2,1H3/q+1