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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)OC)C3=O)[O-]

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CC2=C(C=CC3=C2O/C(=C\C4=CC=C(C=C4)OC)/C3=O)[O-]

InChI

InChI=1S/C23H25NO4/c1-15-5-3-4-12-24(15)14-19-20(25)11-10-18-22(26)21(28-23(18)19)13-16-6-8-17(27-2)9-7-16/h6-11,13,15,25H,3-5,12,14H2,1-2H3/b21-13-/t15-/m1/s1