methyl 5-methylsulfanyl-1-(phenylmethyl)pyrrolidine-2-carboxylate iodide

Systemtic Name: methyl 5-methylsulfanyl-1-(phenylmethyl)pyrrolidine-2-carboxylate iodide Openeye Name: methyl 1-benzyl-5-methylsulfanyl-pyrrolidine-2-carboxylate iodide CAS Name: 5-(methylthio)-1-(phenylmethyl)-2-pyrrolidinecarboxylic acid methyl ester iodide IUPAC Name: methyl 1-benzyl-5-methylsulfanylpyrrolidine-2-carboxylate iodide Traditional Name: 1-benzyl-5-(methylthio)pyrrolidine-2-carboxylic acid methyl ester iodide Formula: C14H19INO2S- MolecularWeight: 392.27563

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(N1CC2=CC=CC=C2)SC.[I-]

Isomeric SMILES

COC(=O)C1CCC(N1CC2=CC=CC=C2)SC.[I-]

InChI

InChI=1S/C14H19NO2S.HI/c1-17-14(16)12-8-9-13(18-2)15(12)10-11-6-4-3-5-7-11;/h3-7,12-13H,8-10H2,1-2H3;1H/p-1