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

Systemtic Name: N-tert-butyl-1-methyl-pyridin-1-ium-3-carboxamide; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxidanylidene-azanium; diiodide; hydrate Openeye Name: N-tert-butyl-1-methyl-pyridin-1-ium-3-carboxamide; [(Z)-(1-methyl-2-pyridylidene)methyl]-oxo-ammonium; diiodide; hydrate CAS Name: N-tert-butyl-1-methyl-3-pyridin-1-iumcarboxamide; [(Z)-(1-methyl-2-pyridinylidene)methyl]-oxoammonium; diiodide; hydrate IUPAC Name: N-tert-butyl-1-methylpyridin-1-ium-3-carboxamide; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium; diiodide; hydrate Traditional Name: N-tert-butyl-1-methyl-pyridin-1-ium-3-carboxamide; keto-[(Z)-(1-methyl-2-pyridylidene)methyl]ammonium; diiodide; hydrate Formula: C18H28I2N4O3 MolecularWeight: 602.24886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O.C7H8N2O.2HI.H2O/c1-11(2,3)12-10(14)9-6-5-7-13(4)8-9;1-9-5-3-2-4-7(9)6-8-10;;;/h5-8H,1-4H3;2-6H,1H3;2*1H;1H2/b;7-6-;;;