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

Systemtic Name: [(E)-[5-ethoxycarbonyl-1-(phenylmethyl)pyridin-2-ylidene]methyl]-oxidanylidene-azanium bromide Openeye Name: [(E)-(1-benzyl-5-ethoxycarbonyl-2-pyridylidene)methyl]-oxo-ammonium bromide CAS Name: [(E)-[5-ethoxycarbonyl-1-(phenylmethyl)-2-pyridinylidene]methyl]-oxoammonium bromide IUPAC Name: [(E)-(1-benzyl-5-ethoxycarbonylpyridin-2-ylidene)methyl]-oxoazanium bromide Traditional Name: [(E)-(1-benzyl-5-carbethoxy-2-pyridylidene)methyl]-keto-ammonium bromide Formula: C16H17BrN2O3 MolecularWeight: 365.22178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3.BrH/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+;