2-azanyl-4-(1-methylpyridin-1-ium-3-yl)-4H-benzo[h]chromene-3-carbonitrile iodide

Systemtic Name: 2-azanyl-4-(1-methylpyridin-1-ium-3-yl)-4H-benzo[h]chromene-3-carbonitrile iodide Openeye Name: 2-amino-4-(1-methylpyridin-1-ium-3-yl)-4H-benzo[h]chromene-3-carbonitrile iodide CAS Name: 2-amino-4-(1-methyl-3-pyridin-1-iumyl)-4H-benzo[h][1]benzopyran-3-carbonitrile iodide IUPAC Name: 2-amino-4-(1-methylpyridin-1-ium-3-yl)-4H-benzo[h]chromene-3-carbonitrile iodide Traditional Name: 2-amino-4-(1-methylpyridin-1-ium-3-yl)-4H-benzo[h]chromene-3-carbonitrile iodide Formula: C20H16IN3O MolecularWeight: 441.26501

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2C3=C(C4=CC=CC=C4C=C3)OC(=C2C#N)N.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2C3=C(C4=CC=CC=C4C=C3)OC(=C2C#N)N.[I-]

InChI

InChI=1S/C20H16N3O.HI/c1-23-10-4-6-14(12-23)18-16-9-8-13-5-2-3-7-15(13)19(16)24-20(22)17(18)11-21;/h2-10,12,18H,22H2,1H3;1H/q+1;/p-1