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

Systemtic Name: 3-dodecyl-2-methyl-1,3-benzothiazol-3-ium Openeye Name: 3-dodecyl-2-methyl-1,3-benzothiazol-3-ium CAS Name: 3-dodecyl-2-methyl-1,3-benzothiazol-3-ium IUPAC Name: 3-dodecyl-2-methyl-1,3-benzothiazol-3-ium Traditional Name: 3-lauryl-2-methyl-1,3-benzothiazol-3-ium Formula: C20H32NS+ MolecularWeight: 318.53978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32NS/c1-3-4-5-6-7-8-9-10-11-14-17-21-18(2)22-20-16-13-12-15-19(20)21/h12-13,15-16H,3-11,14,17H2,1-2H3/q+1