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

Systemtic Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-4-methyl-3-oxidanylidene-5,7-bis(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylene]-4-methyl-3-oxo-5,7-bis(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-4-methyl-3-oxo-5,7-bis(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-4-methyl-3-oxo-5,7-bis(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-2-(2,3-dimethoxybenzylidene)-3-keto-4-methyl-5,7-bis(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C28H35N2O5+ MolecularWeight: 479.5879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C[NH+]3CCCC3)[O-])C[NH+]4CCCC4)OC(=CC5=C(C(=CC=C5)OC)OC)C2=O

Isomeric SMILES

CC1=C2C(=C(C(=C1C[NH+]3CCCC3)[O-])C[NH+]4CCCC4)O/C(=C\C5=C(C(=CC=C5)OC)OC)/C2=O

InChI

InChI=1S/C28H34N2O5/c1-18-20(16-29-11-4-5-12-29)25(31)21(17-30-13-6-7-14-30)28-24(18)26(32)23(35-28)15-19-9-8-10-22(33-2)27(19)34-3/h8-10,15,31H,4-7,11-14,16-17H2,1-3H3/p+1/b23-15-