2-azanyl-4-(1-methylpyridin-1-ium-3-yl)-7-oxidanyl-4H-chromene-3-carbonitrile iodide

Systemtic Name: 2-azanyl-4-(1-methylpyridin-1-ium-3-yl)-7-oxidanyl-4H-chromene-3-carbonitrile iodide Openeye Name: 2-amino-7-hydroxy-4-(1-methylpyridin-1-ium-3-yl)-4H-chromene-3-carbonitrile iodide CAS Name: 2-amino-7-hydroxy-4-(1-methyl-3-pyridin-1-iumyl)-4H-1-benzopyran-3-carbonitrile iodide IUPAC Name: 2-amino-7-hydroxy-4-(1-methylpyridin-1-ium-3-yl)-4H-chromene-3-carbonitrile iodide Traditional Name: 2-amino-7-hydroxy-4-(1-methylpyridin-1-ium-3-yl)-4H-chromene-3-carbonitrile iodide Formula: C16H14IN3O2 MolecularWeight: 407.20573

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N.[I-]

InChI

InChI=1S/C16H13N3O2.HI/c1-19-6-2-3-10(9-19)15-12-5-4-11(20)7-14(12)21-16(18)13(15)8-17;/h2-7,9,15H,18H2,1H3;1H