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

Systemtic Name: 2-phenyl-1,2-benzothiazol-2-ium-3-one chloride Openeye Name: 2-phenyl-1,2-benzothiazol-2-ium-3-one chloride CAS Name: 2-phenyl-1,2-benzothiazol-2-ium-3-one chloride IUPAC Name: 2-phenyl-1,2-benzothiazol-2-ium-3-one chloride Traditional Name: 2-phenyl-1,2-benzothiazol-2-ium-3-one chloride Formula: C13H10ClNOS MolecularWeight: 263.7426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[NH+]2C(=O)C3=CC=CC=C3S2.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)[NH+]2C(=O)C3=CC=CC=C3S2.[Cl-]

InChI

InChI=1S/C13H9NOS.ClH/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10;/h1-9H;1H