1-methyl-N'-(phenylmethyl)pyridin-1-ium-2-carbohydrazide diiodide hydrate

Systemtic Name: 1-methyl-N'-(phenylmethyl)pyridin-1-ium-2-carbohydrazide diiodide hydrate Openeye Name: N'-benzyl-1-methyl-pyridin-1-ium-2-carbohydrazide diiodide hydrate CAS Name: 1-methyl-N'-(phenylmethyl)-2-pyridin-1-iumcarbohydrazide diiodide hydrate IUPAC Name: N'-benzyl-1-methylpyridin-1-ium-2-carbohydrazide diiodide hydrate Traditional Name: N'-benzyl-1-methyl-pyridin-1-ium-2-carbohydrazide diiodide hydrate Formula: C28H34I2N6O3 MolecularWeight: 756.4169

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C(=O)NNCC2=CC=CC=C2.C[N+]1=CC=CC=C1C(=O)NNCC2=CC=CC=C2.O.[I-].[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1C(=O)NNCC2=CC=CC=C2.C[N+]1=CC=CC=C1C(=O)NNCC2=CC=CC=C2.O.[I-].[I-]

InChI

InChI=1S/2C14H15N3O.2HI.H2O/c2*1-17-10-6-5-9-13(17)14(18)16-15-11-12-7-3-2-4-8-12;;;/h2*2-10,18H,11H2,1H3;2*1H;1H2