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

Systemtic Name: N-tert-butyl-1-methyl-pyridin-1-ium-3-carboxamide; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxidanylidene-azanium; dichloride; hydrate Openeye Name: N-tert-butyl-1-methyl-pyridin-1-ium-3-carboxamide; [(Z)-(1-methyl-2-pyridylidene)methyl]-oxo-ammonium; dichloride; hydrate CAS Name: N-tert-butyl-1-methyl-3-pyridin-1-iumcarboxamide; [(Z)-(1-methyl-2-pyridinylidene)methyl]-oxoammonium; dichloride; hydrate IUPAC Name: N-tert-butyl-1-methylpyridin-1-ium-3-carboxamide; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium; dichloride; hydrate Traditional Name: N-tert-butyl-1-methyl-pyridin-1-ium-3-carboxamide; keto-[(Z)-(1-methyl-2-pyridylidene)methyl]ammonium; dichloride; hydrate Formula: C18H28Cl2N4O3 MolecularWeight: 419.34592

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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.[Cl-].[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O.C7H8N2O.2ClH.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-;;;