3-(2-methyloctadecan-3-yl)-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-(2-methyloctadecan-3-yl)-1,3-benzothiazol-3-ium iodide Openeye Name: 3-(1-isopropylhexadecyl)-1,3-benzothiazol-3-ium iodide CAS Name: 3-(2-methyloctadecan-3-yl)-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-(2-methyloctadecan-3-yl)-1,3-benzothiazol-3-ium iodide Traditional Name: 3-(1-isopropylhexadecyl)-1,3-benzothiazol-3-ium iodide Formula: C26H44INS MolecularWeight: 529.60373

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C)C)[N+]1=CSC2=CC=CC=C21.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(C)C)[N+]1=CSC2=CC=CC=C21.[I-]

InChI

InChI=1S/C26H44NS.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(23(2)3)27-22-28-26-21-18-17-20-25(26)27;/h17-18,20-24H,4-16,19H2,1-3H3;1H/q+1;/p-1