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

Systemtic Name: 1-methyl-N-(phenylmethyl)pyridin-1-ium-2-carbohydrazide iodide hydrate Openeye Name: N-benzyl-1-methyl-pyridin-1-ium-2-carbohydrazide iodide hydrate CAS Name: 1-methyl-N-(phenylmethyl)-2-pyridin-1-iumcarbohydrazide iodide hydrate IUPAC Name: N-benzyl-1-methylpyridin-1-ium-2-carbohydrazide iodide hydrate Traditional Name: N-benzyl-1-methyl-pyridin-1-ium-2-carbohydrazide iodide hydrate Formula: C14H18IN3O2 MolecularWeight: 387.21609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C(=O)N(CC2=CC=CC=C2)N.O.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1C(=O)N(CC2=CC=CC=C2)N.O.[I-]

InChI

InChI=1S/C14H15N3O.HI.H2O/c1-16-10-6-5-9-13(16)14(18)17(15)11-12-7-3-2-4-8-12;;/h2-10,15H,11H2,1H3;1H;1H2