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

Systemtic Name: 2-azanyl-7,7-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile iodide Openeye Name: 2-amino-7,7-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile iodide CAS Name: 2-amino-7,7-dimethyl-4-(1-methyl-3-pyridin-1-iumyl)-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile iodide IUPAC Name: 2-amino-7,7-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile iodide Traditional Name: 2-amino-5-keto-7,7-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-6,8-dihydro-4H-chromene-3-carbonitrile iodide Formula: C18H20IN3O2 MolecularWeight: 437.27477

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C[N+](=CC=C3)C)C(=O)C1)C.[I-]

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C[N+](=CC=C3)C)C(=O)C1)C.[I-]

InChI

InChI=1S/C18H20N3O2.HI/c1-18(2)7-13(22)16-14(8-18)23-17(20)12(9-19)15(16)11-5-4-6-21(3)10-11;/h4-6,10,15H,7-8,20H2,1-3H3;1H/q+1;/p-1