ethyl 2-azanyl-7,7-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate iodide

Systemtic Name: ethyl 2-azanyl-7,7-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate iodide Openeye Name: ethyl 2-amino-7,7-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate iodide CAS Name: 2-amino-7,7-dimethyl-4-(1-methyl-3-pyridin-1-iumyl)-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester iodide IUPAC Name: ethyl 2-amino-7,7-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate iodide Traditional Name: 2-amino-5-keto-7,7-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-6,8-dihydro-4H-chromene-3-carboxylic acid ethyl ester iodide Formula: C20H25IN2O4 MolecularWeight: 484.32797

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=C[N+](=CC=C3)C)C(=O)CC(C2)(C)C)N.[I-]

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=C[N+](=CC=C3)C)C(=O)CC(C2)(C)C)N.[I-]

InChI

InChI=1S/C20H24N2O4.HI/c1-5-25-19(24)17-15(12-7-6-8-22(4)11-12)16-13(23)9-20(2,3)10-14(16)26-18(17)21;/h6-8,11,15H,5,9-10H2,1-4H3,(H-,21,24);1H