(2Z)-4-methyl-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-olate

Systemtic Name: (2Z)-4-methyl-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-olate Openeye Name: (2Z)-4-methyl-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-2-[(3,4,5-trimethoxyphenyl)methylene]benzofuran-6-olate CAS Name: (2Z)-4-methyl-3-oxo-7-(1-piperidin-1-iumylmethyl)-2-[(3,4,5-trimethoxyphenyl)methylidene]-6-benzofuranolate IUPAC Name: (2Z)-4-methyl-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-4-methyl-7-(piperidin-1-ium-1-ylmethyl)-2-(3,4,5-trimethoxybenzylidene)coumaran-6-olate Formula: C25H29NO6 MolecularWeight: 439.50086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)O2)C[NH+]4CCCCC4)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/O2)C[NH+]4CCCCC4)[O-]

InChI

InChI=1S/C25H29NO6/c1-15-10-18(27)17(14-26-8-6-5-7-9-26)24-22(15)23(28)19(32-24)11-16-12-20(29-2)25(31-4)21(13-16)30-3/h10-13,27H,5-9,14H2,1-4H3/b19-11-