[(E)-[5-ethoxycarbonyl-1-(phenylmethyl)pyridin-2-ylidene]methyl]-oxidanylidene-azanium iodide

Systemtic Name: [(E)-[5-ethoxycarbonyl-1-(phenylmethyl)pyridin-2-ylidene]methyl]-oxidanylidene-azanium iodide Openeye Name: [(E)-(1-benzyl-5-ethoxycarbonyl-2-pyridylidene)methyl]-oxo-ammonium iodide CAS Name: [(E)-[5-ethoxycarbonyl-1-(phenylmethyl)-2-pyridinylidene]methyl]-oxoammonium iodide IUPAC Name: [(E)-(1-benzyl-5-ethoxycarbonylpyridin-2-ylidene)methyl]-oxoazanium iodide Traditional Name: [(E)-(1-benzyl-5-carbethoxy-2-pyridylidene)methyl]-keto-ammonium iodide Formula: C16H17IN2O3 MolecularWeight: 412.22225

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=C[NH+]=O)C=C1)CC2=CC=CC=C2.[I-]

Isomeric SMILES

CCOC(=O)C1=CN(/C(=C/[NH+]=O)/C=C1)CC2=CC=CC=C2.[I-]

InChI

InChI=1S/C16H16N2O3.HI/c1-2-21-16(19)14-8-9-15(10-17-20)18(12-14)11-13-6-4-3-5-7-13;/h3-10,12H,2,11H2,1H3;1H/b15-10+;