3-octadecyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-octadecyl-1,3-benzothiazol-3-ium iodide Openeye Name: 3-octadecyl-1,3-benzothiazol-3-ium iodide CAS Name: 3-octadecyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-octadecyl-1,3-benzothiazol-3-ium iodide Traditional Name: 3-stearyl-1,3-benzothiazol-3-ium iodide Formula: C25H42INS MolecularWeight: 515.57715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CSC2=CC=CC=C21.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CSC2=CC=CC=C21.[I-]

InChI

InChI=1S/C25H42NS.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-23-27-25-21-18-17-20-24(25)26;/h17-18,20-21,23H,2-16,19,22H2,1H3;1H/q+1;/p-1