dimethyl-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl]azanium; pyridine-3-carboxylate

Systemtic Name: dimethyl-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl]azanium; pyridine-3-carboxylate Openeye Name: (7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl-dimethyl-ammonium; pyridine-3-carboxylate CAS Name: (7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methyl-dimethylammonium; 3-pyridinecarboxylate IUPAC Name: (7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-dimethylazanium; pyridine-3-carboxylate Traditional Name: (7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl-dimethyl-ammonium; nicotinate Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C[NH+](C)C)O.C1=CC(=CN=C1)C(=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C[NH+](C)C)O.C1=CC(=CN=C1)C(=O)[O-]

InChI

InChI=1S/C13H15NO3.C6H5NO2/c1-8-6-12(16)17-13-9(8)4-5-11(15)10(13)7-14(2)3;8-6(9)5-2-1-3-7-4-5/h4-6,15H,7H2,1-3H3;1-4H,(H,8,9)