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

Systemtic Name: 3-hexadecyl-2-methyl-1,3-benzothiazol-3-ium Openeye Name: 3-hexadecyl-2-methyl-1,3-benzothiazol-3-ium CAS Name: 3-hexadecyl-2-methyl-1,3-benzothiazol-3-ium IUPAC Name: 3-hexadecyl-2-methyl-1,3-benzothiazol-3-ium Traditional Name: 3-cetyl-2-methyl-1,3-benzothiazol-3-ium Formula: C24H40NS+ MolecularWeight: 374.6461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40NS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-25-22(2)26-24-20-17-16-19-23(24)25/h16-17,19-20H,3-15,18,21H2,1-2H3/q+1