methyl 5-methanethioyloxy-1-(phenylmethyl)-2,3-dihydro-1H-pyrrol-1-ium-2-carboxylate iodide

Systemtic Name: methyl 5-methanethioyloxy-1-(phenylmethyl)-2,3-dihydro-1H-pyrrol-1-ium-2-carboxylate iodide Openeye Name: methyl 1-benzyl-5-methanethioyloxy-2,3-dihydro-1H-pyrrol-1-ium-2-carboxylate iodide CAS Name: 5-methanethioyloxy-1-(phenylmethyl)-2,3-dihydro-1H-pyrrol-1-ium-2-carboxylic acid methyl ester iodide IUPAC Name: methyl 1-benzyl-5-methanethioyloxy-2,3-dihydro-1H-pyrrol-1-ium-2-carboxylate iodide Traditional Name: 1-benzyl-5-thioformyloxy-2-pyrrolin-1-ium-2-carboxylic acid methyl ester iodide Formula: C14H16INO3S MolecularWeight: 405.25121

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=C([NH+]1CC2=CC=CC=C2)OC=S.[I-]

Isomeric SMILES

COC(=O)C1CC=C([NH+]1CC2=CC=CC=C2)OC=S.[I-]

InChI

InChI=1S/C14H15NO3S.HI/c1-17-14(16)12-7-8-13(18-10-19)15(12)9-11-5-3-2-4-6-11;/h2-6,8,10,12H,7,9H2,1H3;1H