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

Systemtic Name: (2Z)-4-methyl-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-4-methyl-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxo-2-(4-pyridylmethylene)benzofuran-6-olate CAS Name: (2Z)-4-methyl-7-[(4-methyl-1-piperidin-1-iumyl)methyl]-3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-4-methyl-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-4-methyl-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(4-pyridylmethylene)coumaran-6-olate Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3/c1-14-5-9-24(10-6-14)13-17-18(25)11-15(2)20-21(26)19(27-22(17)20)12-16-3-7-23-8-4-16/h3-4,7-8,11-12,14,25H,5-6,9-10,13H2,1-2H3/b19-12-