S-[2-(1,3-thiazol-3-ium-3-yl)ethyl] hexadecanethioate

Systemtic Name: S-[2-(1,3-thiazol-3-ium-3-yl)ethyl] hexadecanethioate Openeye Name: S-(2-thiazol-3-ium-3-ylethyl) hexadecanethioate CAS Name: hexadecanethioic acid S-[2-(3-thiazol-3-iumyl)ethyl] ester IUPAC Name: S-[2-(1,3-thiazol-3-ium-3-yl)ethyl] hexadecanethioate Traditional Name: hexadecanethioic acid S-(2-thiazol-3-ium-3-ylethyl) ester Formula: C21H38NOS2+ MolecularWeight: 384.66252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38NOS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(23)25-19-17-22-16-18-24-20-22/h16,18,20H,2-15,17,19H2,1H3/q+1