[1-octadecylsulfanyl-3-(1,3-thiazol-3-ium-3-yl)propan-2-yl] ethanoate

Systemtic Name: [1-octadecylsulfanyl-3-(1,3-thiazol-3-ium-3-yl)propan-2-yl] ethanoate Openeye Name: [1-(octadecylsulfanylmethyl)-2-thiazol-3-ium-3-yl-ethyl] acetate CAS Name: acetic acid [1-(octadecylthio)-3-(3-thiazol-3-iumyl)propan-2-yl] ester IUPAC Name: [1-octadecylsulfanyl-3-(1,3-thiazol-3-ium-3-yl)propan-2-yl] acetate Traditional Name: acetic acid [1-[(stearylthio)methyl]-2-thiazol-3-ium-3-yl-ethyl] ester Formula: C26H48NO2S2+ MolecularWeight: 470.79482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(C[N+]1=CSC=C1)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(C[N+]1=CSC=C1)OC(=O)C

InChI

InChI=1S/C26H48NO2S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-30-23-26(29-25(2)28)22-27-19-21-31-24-27/h19,21,24,26H,3-18,20,22-23H2,1-2H3/q+1