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

Systemtic Name: 6-oxidanyl-2-[[1-(phenylmethyl)pyridin-1-ium-4-yl]methylidene]-1-benzofuran-3-one Openeye Name: 2-[(1-benzylpyridin-1-ium-4-yl)methylene]-6-hydroxy-benzofuran-3-one CAS Name: 6-hydroxy-2-[[1-(phenylmethyl)-4-pyridin-1-iumyl]methylidene]-3-benzofuranone IUPAC Name: 2-[(1-benzylpyridin-1-ium-4-yl)methylidene]-6-hydroxy-1-benzofuran-3-one Traditional Name: 2-[(1-benzylpyridin-1-ium-4-yl)methylene]-6-hydroxy-coumaran-3-one Formula: C21H16NO3+ MolecularWeight: 330.35664

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15NO3/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/p+1