methyl-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-7-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-7-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[(2Z)-6-hydroxy-3-oxo-2-(4-pyridylmethylene)benzofuran-7-yl]methyl]-methyl-ammonium CAS Name: [(2Z)-6-hydroxy-3-oxo-2-(pyridin-4-ylmethylidene)-7-benzofuranyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[(2Z)-6-hydroxy-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-7-yl]methyl]-methylazanium Traditional Name: benzyl-[[(2Z)-6-hydroxy-3-keto-2-(4-pyridylmethylene)coumaran-7-yl]methyl]-methyl-ammonium Formula: C23H21N2O3+ MolecularWeight: 373.42444

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=CC4=CC=NC=C4)C3=O)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2O/C(=C\C4=CC=NC=C4)/C3=O)O

InChI

InChI=1S/C23H20N2O3/c1-25(14-17-5-3-2-4-6-17)15-19-20(26)8-7-18-22(27)21(28-23(18)19)13-16-9-11-24-12-10-16/h2-13,26H,14-15H2,1H3/p+1/b21-13-