3-methyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-methyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-(p-tolylsulfonylmethyl)-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-(tosylmethyl)-1,3-benzothiazol-3-ium Formula: C16H16NO2S2+ MolecularWeight: 318.43374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=[N+](C3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=[N+](C3=CC=CC=C3S2)C

InChI

InChI=1S/C16H16NO2S2/c1-12-7-9-13(10-8-12)21(18,19)11-16-17(2)14-5-3-4-6-15(14)20-16/h3-10H,11H2,1-2H3/q+1