2-methyl-3-octadecyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-methyl-3-octadecyl-1,3-benzothiazol-3-ium Openeye Name: 2-methyl-3-octadecyl-1,3-benzothiazol-3-ium CAS Name: 2-methyl-3-octadecyl-1,3-benzothiazol-3-ium IUPAC Name: 2-methyl-3-octadecyl-1,3-benzothiazol-3-ium Traditional Name: 2-methyl-3-stearyl-1,3-benzothiazol-3-ium Formula: C26H44NS+ MolecularWeight: 402.69926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=C(SC2=CC=CC=C21)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=C(SC2=CC=CC=C21)C

InChI

InChI=1S/C26H44NS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-27-24(2)28-26-22-19-18-21-25(26)27/h18-19,21-22H,3-17,20,23H2,1-2H3/q+1