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

Systemtic Name: (2Z)-2-[(3-methylphenyl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-(morpholin-4-ium-4-ylmethyl)-2-(m-tolylmethylene)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-2-[(3-methylphenyl)methylidene]-7-(4-morpholin-4-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-2-[(3-methylphenyl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-2-(3-methylbenzylidene)-7-(morpholin-4-ium-4-ylmethyl)coumaran-3-one Formula: C21H22NO4+ MolecularWeight: 352.40368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=CC(=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCOCC4

InChI

InChI=1S/C21H21NO4/c1-14-3-2-4-15(11-14)12-19-20(24)16-5-6-18(23)17(21(16)26-19)13-22-7-9-25-10-8-22/h2-6,11-12,23H,7-10,13H2,1H3/p+1/b19-12-