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

Systemtic Name: (2Z)-2-(furan-2-ylmethylidene)-4-methyl-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-(2-furylmethylene)-4-methyl-3-oxo-7-(piperidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-(2-furanylmethylidene)-4-methyl-3-oxo-7-(1-piperidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-(furan-2-ylmethylidene)-4-methyl-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-2-(2-furfurylidene)-3-keto-4-methyl-7-(piperidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=CO3)O2)C[NH+]4CCCCC4)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC=CO3)/O2)C[NH+]4CCCCC4)[O-]

InChI

InChI=1S/C20H21NO4/c1-13-10-16(22)15(12-21-7-3-2-4-8-21)20-18(13)19(23)17(25-20)11-14-6-5-9-24-14/h5-6,9-11,22H,2-4,7-8,12H2,1H3/b17-11-