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

Systemtic Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-4-methyl-6-oxidanyl-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylene]-6-hydroxy-4-methyl-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-6-hydroxy-4-methyl-7-(1-pyrrolidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-6-hydroxy-4-methyl-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-2-(2,3-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/c1-14-11-17(25)16(13-24-9-4-5-10-24)23-20(14)21(26)19(29-23)12-15-7-6-8-18(27-2)22(15)28-3/h6-8,11-12,25H,4-5,9-10,13H2,1-3H3/p+1/b19-12-