3-(2-hexadecylsulfanylethyl)-1,3-thiazol-3-ium

Systemtic Name: 3-(2-hexadecylsulfanylethyl)-1,3-thiazol-3-ium Openeye Name: 3-(2-hexadecylsulfanylethyl)thiazol-3-ium CAS Name: 3-[2-(hexadecylthio)ethyl]thiazol-3-ium IUPAC Name: 3-(2-hexadecylsulfanylethyl)-1,3-thiazol-3-ium Traditional Name: 3-[2-(cetylthio)ethyl]thiazol-3-ium Formula: C21H40NS2+ MolecularWeight: 370.679

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC[N+]1=CSC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC[N+]1=CSC=C1

InChI

InChI=1S/C21H40NS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-19-16-22-17-20-24-21-22/h17,20-21H,2-16,18-19H2,1H3/q+1