1-(2-ethanoylphenyl)-2-methyl-1,2-benzothiazol-1-ium-3-one

Systemtic Name: 1-(2-ethanoylphenyl)-2-methyl-1,2-benzothiazol-1-ium-3-one Openeye Name: 1-(2-acetylphenyl)-2-methyl-1,2-benzothiazol-1-ium-3-one CAS Name: 1-(2-acetylphenyl)-2-methyl-1,2-benzothiazol-1-ium-3-one IUPAC Name: 1-(2-acetylphenyl)-2-methyl-1,2-benzothiazol-1-ium-3-one Traditional Name: 1-(2-acetylphenyl)-2-methyl-1,2-benzothiazol-1-ium-3-one Formula: C16H14NO2S+ MolecularWeight: 284.35286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1[S+]2C3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC(=O)C1=CC=CC=C1[S+]2C3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C16H14NO2S/c1-11(18)12-7-3-5-9-14(12)20-15-10-6-4-8-13(15)16(19)17(20)2/h3-10H,1-2H3/q+1