1-cyano-2-(2-methylbutan-2-yl)-3-(1-methylpyridin-1-ium-3-yl)guanidine iodide

Systemtic Name: 1-cyano-2-(2-methylbutan-2-yl)-3-(1-methylpyridin-1-ium-3-yl)guanidine iodide Openeye Name: 1-cyano-2-(1,1-dimethylpropyl)-3-(1-methylpyridin-1-ium-3-yl)guanidine iodide CAS Name: 1-cyano-2-(2-methylbutan-2-yl)-3-(1-methyl-3-pyridin-1-iumyl)guanidine iodide IUPAC Name: 1-cyano-2-(2-methylbutan-2-yl)-3-(1-methylpyridin-1-ium-3-yl)guanidine iodide Traditional Name: 2-tert-amyl-1-cyano-3-(1-methylpyridin-1-ium-3-yl)guanidine iodide Formula: C13H20IN5 MolecularWeight: 373.23587

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N=C(NC#N)NC1=C[N+](=CC=C1)C.[I-]

Isomeric SMILES

CCC(C)(C)N=C(NC#N)NC1=C[N+](=CC=C1)C.[I-]

InChI

InChI=1S/C13H20N5.HI/c1-5-13(2,3)17-12(15-10-14)16-11-7-6-8-18(4)9-11;/h6-9H,5H2,1-4H3,(H2,15,16,17);1H/q+1;/p-1