2-methyl-1-phenyl-1,2-benzothiazol-1-ium-3-one

Systemtic Name: 2-methyl-1-phenyl-1,2-benzothiazol-1-ium-3-one Openeye Name: 2-methyl-1-phenyl-1,2-benzothiazol-1-ium-3-one CAS Name: 2-methyl-1-phenyl-1,2-benzothiazol-1-ium-3-one IUPAC Name: 2-methyl-1-phenyl-1,2-benzothiazol-1-ium-3-one Traditional Name: 2-methyl-1-phenyl-1,2-benzothiazol-1-ium-3-one Formula: C14H12NOS+ MolecularWeight: 242.31618

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2[S+]1C3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2[S+]1C3=CC=CC=C3

InChI

InChI=1S/C14H12NOS/c1-15-14(16)12-9-5-6-10-13(12)17(15)11-7-3-2-4-8-11/h2-10H,1H3/q+1