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

Systemtic Name: methyl N-[(1-methylpyridin-1-ium-4-yl)carbonylamino]-N'-phenyl-carbamimidothioate iodide Openeye Name: 2-methyl-1-[(1-methylpyridin-1-ium-4-carbonyl)amino]-3-phenyl-isothiourea iodide CAS Name: N-[[(1-methyl-4-pyridin-1-iumyl)-oxomethyl]amino]-N'-phenylcarbamimidothioic acid methyl ester iodide IUPAC Name: methyl N-[(1-methylpyridin-1-ium-4-carbonyl)amino]-N'-phenylcarbamimidothioate iodide Traditional Name: 2-methyl-1-[(1-methylpyridin-1-ium-4-carbonyl)amino]-3-phenyl-isothiourea iodide Formula: C15H17IN4OS MolecularWeight: 428.29115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4OS.HI/c1-19-10-8-12(9-11-19)14(20)17-18-15(21-2)16-13-6-4-3-5-7-13;/h3-11,20H,1-2H3;1H