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

Systemtic Name: methyl-[[(2Z)-4-methyl-6-oxidanyl-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-7-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[(2Z)-6-hydroxy-4-methyl-3-oxo-2-(3-pyridylmethylene)benzofuran-7-yl]methyl]-methyl-ammonium CAS Name: [(2Z)-6-hydroxy-4-methyl-3-oxo-2-(3-pyridinylmethylidene)-7-benzofuranyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[(2Z)-6-hydroxy-4-methyl-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-7-yl]methyl]-methylazanium Traditional Name: benzyl-[[(2Z)-6-hydroxy-3-keto-4-methyl-2-(3-pyridylmethylene)coumaran-7-yl]methyl]-methyl-ammonium Formula: C24H23N2O3+ MolecularWeight: 387.45102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CN=CC=C3)O2)C[NH+](C)CC4=CC=CC=C4)O

Isomeric SMILES

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

InChI

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