(2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-4-methyl-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-4-methyl-3-oxo-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-3-keto-4-methyl-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C23H21NO4 MolecularWeight: 375.41714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=CC=CC=C4O3)O2)C[NH+]5CCCC5)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC4=CC=CC=C4O3)/O2)C[NH+]5CCCC5)[O-]

InChI

InChI=1S/C23H21NO4/c1-14-10-18(25)17(13-24-8-4-5-9-24)23-21(14)22(26)20(28-23)12-16-11-15-6-2-3-7-19(15)27-16/h2-3,6-7,10-12,25H,4-5,8-9,13H2,1H3/b20-12-