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

Systemtic Name: (2Z)-4-methyl-7-[[methyl-(phenylmethyl)azaniumyl]methyl]-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-7-[[benzyl(methyl)ammonio]methyl]-4-methyl-3-oxo-2-(4-pyridylmethylene)benzofuran-6-olate CAS Name: (2Z)-4-methyl-7-[[methyl-(phenylmethyl)ammonio]methyl]-3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-7-[[benzyl(methyl)azaniumyl]methyl]-4-methyl-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-7-[[benzyl(methyl)ammonio]methyl]-3-keto-4-methyl-2-(4-pyridylmethylene)coumaran-6-olate Formula: C24H22N2O3 MolecularWeight: 386.44308

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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)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC=NC=C3)/O2)C[NH+](C)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C24H22N2O3/c1-16-12-20(27)19(15-26(2)14-18-6-4-3-5-7-18)24-22(16)23(28)21(29-24)13-17-8-10-25-11-9-17/h3-13,27H,14-15H2,1-2H3/b21-13-