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

Systemtic Name: S-(2-pyridin-1-ium-1-ylethyl) octadecanethioate Openeye Name: S-(2-pyridin-1-ium-1-ylethyl) octadecanethioate CAS Name: octadecanethioic acid S-[2-(1-pyridin-1-iumyl)ethyl] ester IUPAC Name: S-(2-pyridin-1-ium-1-ylethyl) octadecanethioate Traditional Name: octadecanethioic acid S-(2-pyridin-1-ium-1-ylethyl) ester Formula: C25H44NOS+ MolecularWeight: 406.68796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H44NOS/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/q+1