3-octadecyl-1,3-thiazol-3-ium bromide

Systemtic Name: 3-octadecyl-1,3-thiazol-3-ium bromide Openeye Name: 3-octadecylthiazol-3-ium bromide CAS Name: 3-octadecylthiazol-3-ium bromide IUPAC Name: 3-octadecyl-1,3-thiazol-3-ium bromide Traditional Name: 3-stearylthiazol-3-ium bromide Formula: C21H40BrNS MolecularWeight: 418.518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CSC=C1.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CSC=C1.[Br-]

InChI

InChI=1S/C21H40NS.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20-23-21-22;/h19-21H,2-18H2,1H3;1H/q+1;/p-1