1-methyl-N-(phenylmethyl)pyridin-1-ium-3-carboxamide; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxidanylidene-azanium; diiodide

Systemtic Name: 1-methyl-N-(phenylmethyl)pyridin-1-ium-3-carboxamide; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxidanylidene-azanium; diiodide Openeye Name: N-benzyl-1-methyl-pyridin-1-ium-3-carboxamide; [(Z)-(1-methyl-2-pyridylidene)methyl]-oxo-ammonium; diiodide CAS Name: 1-methyl-N-(phenylmethyl)-3-pyridin-1-iumcarboxamide; [(Z)-(1-methyl-2-pyridinylidene)methyl]-oxoammonium; diiodide IUPAC Name: N-benzyl-1-methylpyridin-1-ium-3-carboxamide; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium; diiodide Traditional Name: N-benzyl-1-methyl-pyridin-1-ium-3-carboxamide; keto-[(Z)-(1-methyl-2-pyridylidene)methyl]ammonium; diiodide Formula: C21H24I2N4O2 MolecularWeight: 618.2498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=CC1=C[NH+]=O.C[N+]1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2.[I-].[I-]

Isomeric SMILES

CN\1C=CC=C/C1=C/[NH+]=O.C[N+]1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2.[I-].[I-]

InChI

InChI=1S/C14H14N2O.C7H8N2O.2HI/c1-16-9-5-8-13(11-16)14(17)15-10-12-6-3-2-4-7-12;1-9-5-3-2-4-7(9)6-8-10;;/h2-9,11H,10H2,1H3;2-6H,1H3;2*1H/b;7-6-;;