(2Z)-2-[(4-methoxyphenyl)methylidene]-6-oxidanyl-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[(4-methoxyphenyl)methylidene]-6-oxidanyl-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-2-[(4-methoxyphenyl)methylene]-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-2-[(4-methoxyphenyl)methylidene]-7-(1-pyrrolidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-2-[(4-methoxyphenyl)methylidene]-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-2-p-anisylidene-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C21H22NO4+ MolecularWeight: 352.40368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCC4

InChI

InChI=1S/C21H21NO4/c1-25-15-6-4-14(5-7-15)12-19-20(24)16-8-9-18(23)17(21(16)26-19)13-22-10-2-3-11-22/h4-9,12,23H,2-3,10-11,13H2,1H3/p+1/b19-12-