(2Z)-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-3-one

Systemtic Name: (2Z)-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)-2-[(2,3,4-trimethoxyphenyl)methylene]benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-(1-piperidin-1-iumylmethyl)-2-[(2,3,4-trimethoxyphenyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)-2-(2,3,4-trimethoxybenzylidene)coumaran-3-one Formula: C24H28NO6+ MolecularWeight: 426.48222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCCC4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCCC4)OC)OC

InChI

InChI=1S/C24H27NO6/c1-28-19-10-7-15(22(29-2)24(19)30-3)13-20-21(27)16-8-9-18(26)17(23(16)31-20)14-25-11-5-4-6-12-25/h7-10,13,26H,4-6,11-12,14H2,1-3H3/p+1/b20-13-