1-(1-methylpyridin-1-ium-3-yl)-2-phenyl-ethanone; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxidanylidene-azanium; diiodide

Systemtic Name: 1-(1-methylpyridin-1-ium-3-yl)-2-phenyl-ethanone; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxidanylidene-azanium; diiodide Openeye Name: 1-(1-methylpyridin-1-ium-3-yl)-2-phenyl-ethanone; [(Z)-(1-methyl-2-pyridylidene)methyl]-oxo-ammonium; diiodide CAS Name: 1-(1-methyl-3-pyridin-1-iumyl)-2-phenylethanone; [(Z)-(1-methyl-2-pyridinylidene)methyl]-oxoammonium; diiodide IUPAC Name: 1-(1-methylpyridin-1-ium-3-yl)-2-phenylethanone; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium; diiodide Traditional Name: keto-[(Z)-(1-methyl-2-pyridylidene)methyl]ammonium; 1-(1-methylpyridin-1-ium-3-yl)-2-phenyl-ethanone; diiodide Formula: C21H23I2N3O2 MolecularWeight: 603.23516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=CC1=C[NH+]=O.C[N+]1=CC=CC(=C1)C(=O)CC2=CC=CC=C2.[I-].[I-]

Isomeric SMILES

CN\1C=CC=C/C1=C/[NH+]=O.C[N+]1=CC=CC(=C1)C(=O)CC2=CC=CC=C2.[I-].[I-]

InChI

InChI=1S/C14H14NO.C7H8N2O.2HI/c1-15-9-5-8-13(11-15)14(16)10-12-6-3-2-4-7-12;1-9-5-3-2-4-7(9)6-8-10;;/h2-9,11H,10H2,1H3;2-6H,1H3;2*1H/q+1;;;/p-1/b;7-6-;;