[(E)-[1-methyl-5-(3-oxidanylpropylcarbamoyl)pyridin-2-ylidene]methyl]-oxidanylidene-azanium iodide

Systemtic Name: [(E)-[1-methyl-5-(3-oxidanylpropylcarbamoyl)pyridin-2-ylidene]methyl]-oxidanylidene-azanium iodide Openeye Name: [(E)-[5-(3-hydroxypropylcarbamoyl)-1-methyl-2-pyridylidene]methyl]-oxo-ammonium iodide CAS Name: [(E)-[5-[(3-hydroxypropylamino)-oxomethyl]-1-methyl-2-pyridinylidene]methyl]-oxoammonium iodide IUPAC Name: [(E)-[5-(3-hydroxypropylcarbamoyl)-1-methylpyridin-2-ylidene]methyl]-oxoazanium iodide Traditional Name: [(E)-[5-(3-hydroxypropylcarbamoyl)-1-methyl-2-pyridylidene]methyl]-keto-ammonium iodide Formula: C11H16IN3O3 MolecularWeight: 365.16751

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=CC1=C[NH+]=O)C(=O)NCCCO.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O3.HI/c1-14-8-9(3-4-10(14)7-13-17)11(16)12-5-2-6-15;/h3-4,7-8,15H,2,5-6H2,1H3,(H,12,16);1H/b10-7+;