methyl N'-methyl-N-(2-pyrrolidin-1-ylphenyl)carbamimidothioate hydroiodide

Systemtic Name: methyl N'-methyl-N-(2-pyrrolidin-1-ylphenyl)carbamimidothioate hydroiodide Openeye Name: 2,3-dimethyl-1-(2-pyrrolidin-1-ylphenyl)isothiourea hydroiodide CAS Name: N'-methyl-N-[2-(1-pyrrolidinyl)phenyl]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-methyl-N-(2-pyrrolidin-1-ylphenyl)carbamimidothioate hydroiodide Traditional Name: 2,3-dimethyl-1-(2-pyrrolidinophenyl)isothiourea hydroiodide Formula: C13H20IN3S MolecularWeight: 377.28747

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC1=CC=CC=C1N2CCCC2)SC.I

Isomeric SMILES

CN=C(NC1=CC=CC=C1N2CCCC2)SC.I

InChI

InChI=1S/C13H19N3S.HI/c1-14-13(17-2)15-11-7-3-4-8-12(11)16-9-5-6-10-16;/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,14,15);1H