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

Systemtic Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-4-methyl-6-oxidanyl-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylene]-6-hydroxy-4-methyl-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-6-hydroxy-4-methyl-7-(1-pyrrolidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-6-hydroxy-4-methyl-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-2-(2,5-dimethoxybenzylidene)-6-hydroxy-4-methyl-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C23H26NO5+ MolecularWeight: 396.45624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=C(C=CC(=C3)OC)OC)O2)C[NH+]4CCCC4)O

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=C(C=CC(=C3)OC)OC)/O2)C[NH+]4CCCC4)O

InChI

InChI=1S/C23H25NO5/c1-14-10-18(25)17(13-24-8-4-5-9-24)23-21(14)22(26)20(29-23)12-15-11-16(27-2)6-7-19(15)28-3/h6-7,10-12,25H,4-5,8-9,13H2,1-3H3/p+1/b20-12-