(2Z)-7-(azepan-1-ium-1-ylmethyl)-6-oxidanyl-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one

Systemtic Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-6-oxidanyl-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylene]benzofuran-3-one CAS Name: (2Z)-7-(1-azepan-1-iumylmethyl)-6-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2-(2,4,5-trimethoxybenzylidene)coumaran-3-one Formula: C25H30NO6+ MolecularWeight: 440.5088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCCCC4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCCCC4)OC)OC

InChI

InChI=1S/C25H29NO6/c1-29-20-14-22(31-3)21(30-2)12-16(20)13-23-24(28)17-8-9-19(27)18(25(17)32-23)15-26-10-6-4-5-7-11-26/h8-9,12-14,27H,4-7,10-11,15H2,1-3H3/p+1/b23-13-