methyl N'-(4-chlorophenyl)-N-[(1-methylpyridin-1-ium-4-yl)carbonylamino]carbamimidothioate iodide

Systemtic Name: methyl N'-(4-chlorophenyl)-N-[(1-methylpyridin-1-ium-4-yl)carbonylamino]carbamimidothioate iodide Openeye Name: 3-(4-chlorophenyl)-2-methyl-1-[(1-methylpyridin-1-ium-4-carbonyl)amino]isothiourea iodide CAS Name: N'-(4-chlorophenyl)-N-[[(1-methyl-4-pyridin-1-iumyl)-oxomethyl]amino]carbamimidothioic acid methyl ester iodide IUPAC Name: methyl N'-(4-chlorophenyl)-N-[(1-methylpyridin-1-ium-4-carbonyl)amino]carbamimidothioate iodide Traditional Name: 3-(4-chlorophenyl)-2-methyl-1-[(1-methylpyridin-1-ium-4-carbonyl)amino]isothiourea iodide Formula: C15H16ClIN4OS MolecularWeight: 462.73621

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(=O)NNC(=NC2=CC=C(C=C2)Cl)SC.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C(=O)NNC(=NC2=CC=C(C=C2)Cl)SC.[I-]

InChI

InChI=1S/C15H15ClN4OS.HI/c1-20-9-7-11(8-10-20)14(21)18-19-15(22-2)17-13-5-3-12(16)4-6-13;/h3-10,21H,1-2H3;1H