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

Systemtic Name: (2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxidanylidene-5,7-bis(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(4-methoxyphenyl)methylene]-4-methyl-3-oxo-5,7-bis(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxo-5,7-bis(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxo-5,7-bis(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-4-methyl-2-p-anisylidene-5,7-bis(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C27H33N2O4+ MolecularWeight: 449.56192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O4/c1-18-21(16-28-11-3-4-12-28)25(30)22(17-29-13-5-6-14-29)27-24(18)26(31)23(33-27)15-19-7-9-20(32-2)10-8-19/h7-10,15,30H,3-6,11-14,16-17H2,1-2H3/p+1/b23-15-