3-hexyl-2-methyl-benzo[g][1,3]benzothiazol-3-ium

Systemtic Name: 3-hexyl-2-methyl-benzo[g][1,3]benzothiazol-3-ium Openeye Name: 3-hexyl-2-methyl-benzo[g][1,3]benzothiazol-3-ium CAS Name: 3-hexyl-2-methylbenzo[g][1,3]benzothiazol-3-ium IUPAC Name: 3-hexyl-2-methylbenzo[g][1,3]benzothiazol-3-ium Traditional Name: 3-hexyl-2-methyl-benzo[g][1,3]benzothiazol-3-ium Formula: C18H22NS+ MolecularWeight: 284.43898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=C(SC2=C1C=CC3=CC=CC=C32)C

Isomeric SMILES

CCCCCC[N+]1=C(SC2=C1C=CC3=CC=CC=C32)C

InChI

InChI=1S/C18H22NS/c1-3-4-5-8-13-19-14(2)20-18-16-10-7-6-9-15(16)11-12-17(18)19/h6-7,9-12H,3-5,8,13H2,1-2H3/q+1