ethyl 1-methylpyridin-1-ium-3-carboxylate; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxidanylidene-azanium; diiodide

Systemtic Name: ethyl 1-methylpyridin-1-ium-3-carboxylate; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxidanylidene-azanium; diiodide Openeye Name: ethyl 1-methylpyridin-1-ium-3-carboxylate; [(Z)-(1-methyl-2-pyridylidene)methyl]-oxo-ammonium; diiodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid ethyl ester; [(Z)-(1-methyl-2-pyridinylidene)methyl]-oxoammonium; diiodide IUPAC Name: ethyl 1-methylpyridin-1-ium-3-carboxylate; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium; diiodide Traditional Name: keto-[(Z)-(1-methyl-2-pyridylidene)methyl]ammonium; 1-methylpyridin-1-ium-3-carboxylic acid ethyl ester; diiodide Formula: C16H21I2N3O3 MolecularWeight: 557.16518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12NO2.C7H8N2O.2HI/c1-3-12-9(11)8-5-4-6-10(2)7-8;1-9-5-3-2-4-7(9)6-8-10;;/h4-7H,3H2,1-2H3;2-6H,1H3;2*1H/q+1;;;/p-1/b;7-6-;;