[(E)-[4-(hexylcarbamoyl)-1-methyl-pyridin-2-ylidene]methyl]-oxidanylidene-azanium iodide

Systemtic Name: [(E)-[4-(hexylcarbamoyl)-1-methyl-pyridin-2-ylidene]methyl]-oxidanylidene-azanium iodide Openeye Name: [(E)-[4-(hexylcarbamoyl)-1-methyl-2-pyridylidene]methyl]-oxo-ammonium iodide CAS Name: [(E)-[4-[(hexylamino)-oxomethyl]-1-methyl-2-pyridinylidene]methyl]-oxoammonium iodide IUPAC Name: [(E)-[4-(hexylcarbamoyl)-1-methylpyridin-2-ylidene]methyl]-oxoazanium iodide Traditional Name: [(E)-[4-(hexylcarbamoyl)-1-methyl-2-pyridylidene]methyl]-keto-ammonium iodide Formula: C14H22IN3O2 MolecularWeight: 391.24785

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=C[NH+]=O)N(C=C1)C.[I-]

Isomeric SMILES

CCCCCCNC(=O)C1=C/C(=C\[NH+]=O)/N(C=C1)C.[I-]

InChI

InChI=1S/C14H21N3O2.HI/c1-3-4-5-6-8-15-14(18)12-7-9-17(2)13(10-12)11-16-19;/h7,9-11H,3-6,8H2,1-2H3,(H,15,18);1H/b13-11+;