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

Systemtic Name: (2Z)-4-methyl-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-4-methyl-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-2-(3-pyridylmethylene)benzofuran-6-olate CAS Name: (2Z)-4-methyl-3-oxo-7-(1-piperidin-1-iumylmethyl)-2-(3-pyridinylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-4-methyl-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-4-methyl-7-(piperidin-1-ium-1-ylmethyl)-2-(3-pyridylmethylene)coumaran-6-olate Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CN=CC=C3)O2)C[NH+]4CCCCC4)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-14-10-17(24)16(13-23-8-3-2-4-9-23)21-19(14)20(25)18(26-21)11-15-6-5-7-22-12-15/h5-7,10-12,24H,2-4,8-9,13H2,1H3/b18-11-