(2Z)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-olate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CN=CC=C4)C3=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CN=CC=C4)/C3=O)[O-]

InChI

InChI=1S/C21H22N2O3/c1-14-6-9-23(10-7-14)13-17-18(24)5-4-16-20(25)19(26-21(16)17)11-15-3-2-8-22-12-15/h2-5,8,11-12,14,24H,6-7,9-10,13H2,1H3/b19-11-