(2Z)-2-[(3-methoxyphenyl)methylidene]-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(3-methoxyphenyl)methylidene]-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(3-methoxyphenyl)methylene]-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(3-methoxyphenyl)methylidene]-7-[(4-methyl-1-piperidin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(3-methoxyphenyl)methylidene]-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-m-anisylidene-7-[(4-methylpiperidin-1-ium-1-yl)methyl]coumaran-6-olate Formula: C23H25NO4 MolecularWeight: 379.4489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)OC)C3=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC(=CC=C4)OC)/C3=O)[O-]

InChI

InChI=1S/C23H25NO4/c1-15-8-10-24(11-9-15)14-19-20(25)7-6-18-22(26)21(28-23(18)19)13-16-4-3-5-17(12-16)27-2/h3-7,12-13,15,25H,8-11,14H2,1-2H3/b21-13-