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

Systemtic Name: (2Z)-7-[(dimethylazaniumyl)methyl]-4-methyl-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dimethylammonio)methyl]-4-methyl-3-oxo-2-(4-pyridylmethylene)benzofuran-6-olate CAS Name: (2Z)-7-[(dimethylammonio)methyl]-4-methyl-3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-7-[(dimethylazaniumyl)methyl]-4-methyl-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dimethylammonio)methyl]-3-keto-4-methyl-2-(4-pyridylmethylene)coumaran-6-olate Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3/c1-11-8-14(21)13(10-20(2)3)18-16(11)17(22)15(23-18)9-12-4-6-19-7-5-12/h4-9,21H,10H2,1-3H3/b15-9-