2-oxidanylidene-4-(pyridin-1-ium-1-ylmethyl)chromene-3-carbonitrile iodide

Systemtic Name: 2-oxidanylidene-4-(pyridin-1-ium-1-ylmethyl)chromene-3-carbonitrile iodide Openeye Name: 2-oxo-4-(pyridin-1-ium-1-ylmethyl)chromene-3-carbonitrile iodide CAS Name: 2-oxo-4-(1-pyridin-1-iumylmethyl)-1-benzopyran-3-carbonitrile iodide IUPAC Name: 2-oxo-4-(pyridin-1-ium-1-ylmethyl)chromene-3-carbonitrile iodide Traditional Name: 2-keto-4-(pyridin-1-ium-1-ylmethyl)chromene-3-carbonitrile iodide Formula: C16H11IN2O2 MolecularWeight: 390.17521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=C(C(=O)OC3=CC=CC=C32)C#N.[I-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=C(C(=O)OC3=CC=CC=C32)C#N.[I-]

InChI

InChI=1S/C16H11N2O2.HI/c17-10-13-14(11-18-8-4-1-5-9-18)12-6-2-3-7-15(12)20-16(13)19;/h1-9H,11H2;1H/q+1;/p-1