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

Systemtic Name: 3-butyl-2-methyl-benzo[g][1,3]benzothiazol-3-ium Openeye Name: 3-butyl-2-methyl-benzo[g][1,3]benzothiazol-3-ium CAS Name: 3-butyl-2-methylbenzo[g][1,3]benzothiazol-3-ium IUPAC Name: 3-butyl-2-methylbenzo[g][1,3]benzothiazol-3-ium Traditional Name: 3-butyl-2-methyl-benzo[g][1,3]benzothiazol-3-ium Formula: C16H18NS+ MolecularWeight: 256.38582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18NS/c1-3-4-11-17-12(2)18-16-14-8-6-5-7-13(14)9-10-15(16)17/h5-10H,3-4,11H2,1-2H3/q+1