dimethyl-[[8-methyl-3-(1,2-oxazol-3-yl)-7-oxidanyl-4-oxidanylidene-chromen-6-yl]methyl]azanium chloride

Systemtic Name: dimethyl-[[8-methyl-3-(1,2-oxazol-3-yl)-7-oxidanyl-4-oxidanylidene-chromen-6-yl]methyl]azanium chloride Openeye Name: (7-hydroxy-3-isoxazol-3-yl-8-methyl-4-oxo-chromen-6-yl)methyl-dimethyl-ammonium chloride CAS Name: [7-hydroxy-3-(3-isoxazolyl)-8-methyl-4-oxo-1-benzopyran-6-yl]methyl-dimethylammonium chloride IUPAC Name: [7-hydroxy-8-methyl-3-(1,2-oxazol-3-yl)-4-oxochromen-6-yl]methyl-dimethylazanium chloride Traditional Name: (7-hydroxy-3-isoxazol-3-yl-4-keto-8-methyl-chromen-6-yl)methyl-dimethyl-ammonium chloride Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)C[NH+](C)C)C(=O)C(=CO2)C3=NOC=C3.[Cl-]

Isomeric SMILES

CC1=C2C(=CC(=C1O)C[NH+](C)C)C(=O)C(=CO2)C3=NOC=C3.[Cl-]

InChI

InChI=1S/C16H16N2O4.ClH/c1-9-14(19)10(7-18(2)3)6-11-15(20)12(8-21-16(9)11)13-4-5-22-17-13;/h4-6,8,19H,7H2,1-3H3;1H