3-phenyl-[1,4]oxathiino[3,2-b]pyridin-5-ium-2-one chloride

Systemtic Name: 3-phenyl-[1,4]oxathiino[3,2-b]pyridin-5-ium-2-one chloride Openeye Name: 3-phenyl-[1,4]oxathiino[3,2-b]pyridin-5-ium-2-one chloride CAS Name: 3-phenyl-[1,4]oxathiino[3,2-b]pyridin-5-ium-2-one chloride IUPAC Name: 3-phenyl-[1,4]oxathiino[3,2-b]pyridin-5-ium-2-one chloride Traditional Name: 3-phenyl-[1,4]oxathiino[3,2-b]pyridin-5-ium-2-one chloride Formula: C13H10ClNO2S MolecularWeight: 279.742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=O)OC3=C(S2)[NH+]=CC=C3.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2C(=O)OC3=C(S2)[NH+]=CC=C3.[Cl-]

InChI

InChI=1S/C13H9NO2S.ClH/c15-13-11(9-5-2-1-3-6-9)17-12-10(16-13)7-4-8-14-12;/h1-8,11H;1H