(2Z)-6-oxidanyl-2-[[1-(phenylmethyl)pyridin-1-ium-4-yl]methylidene]-1-benzofuran-3-one chloride

Systemtic Name: (2Z)-6-oxidanyl-2-[[1-(phenylmethyl)pyridin-1-ium-4-yl]methylidene]-1-benzofuran-3-one chloride Openeye Name: (2Z)-2-[(1-benzylpyridin-1-ium-4-yl)methylene]-6-hydroxy-benzofuran-3-one chloride CAS Name: (2Z)-6-hydroxy-2-[[1-(phenylmethyl)-4-pyridin-1-iumyl]methylidene]-3-benzofuranone chloride IUPAC Name: (2Z)-2-[(1-benzylpyridin-1-ium-4-yl)methylidene]-6-hydroxy-1-benzofuran-3-one chloride Traditional Name: (2Z)-2-[(1-benzylpyridin-1-ium-4-yl)methylene]-6-hydroxy-coumaran-3-one chloride Formula: C21H16ClNO3 MolecularWeight: 365.80964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C=C3C(=O)C4=C(O3)C=C(C=C4)O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)/C=C\3/C(=O)C4=C(O3)C=C(C=C4)O.[Cl-]

InChI

InChI=1S/C21H15NO3.ClH/c23-17-6-7-18-19(13-17)25-20(21(18)24)12-15-8-10-22(11-9-15)14-16-4-2-1-3-5-16;/h1-13H,14H2;1H/b20-12-;