(phenylmethyl) N-(5-methylsulfanyl-3,4-dihydro-2H-pyrrol-1-ium-4-yl)carbamate iodide

Systemtic Name: (phenylmethyl) N-(5-methylsulfanyl-3,4-dihydro-2H-pyrrol-1-ium-4-yl)carbamate iodide Openeye Name: benzyl N-(5-methylsulfanyl-3,4-dihydro-2H-pyrrol-1-ium-4-yl)carbamate iodide CAS Name: N-[5-(methylthio)-3,4-dihydro-2H-pyrrol-1-ium-4-yl]carbamic acid (phenylmethyl) ester iodide IUPAC Name: benzyl N-(5-methylsulfanyl-3,4-dihydro-2H-pyrrol-1-ium-4-yl)carbamate iodide Traditional Name: N-[2-(methylthio)-1-pyrrolin-1-ium-3-yl]carbamic acid benzyl ester iodide Formula: C13H17IN2O2S MolecularWeight: 392.25575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=[NH+]CCC1NC(=O)OCC2=CC=CC=C2.[I-]

Isomeric SMILES

CSC1=[NH+]CCC1NC(=O)OCC2=CC=CC=C2.[I-]

InChI

InChI=1S/C13H16N2O2S.HI/c1-18-12-11(7-8-14-12)15-13(16)17-9-10-5-3-2-4-6-10;/h2-6,11H,7-9H2,1H3,(H,15,16);1H