(phenylmethyl) 2-[2-[2-(4-methoxyphenyl)sulfanylethyl]-1-oxidanyl-pyrrolidin-1-ium-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-[2-(4-methoxyphenyl)sulfanylethyl]-1-oxidanyl-pyrrolidin-1-ium-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: benzyl 2-[1-hydroxy-2-[2-(4-methoxyphenyl)sulfanylethyl]pyrrolidin-1-ium-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[1-hydroxy-2-[2-[(4-methoxyphenyl)thio]ethyl]-1-pyrrolidin-1-iumyl]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-hydroxy-2-[2-(4-methoxyphenyl)sulfanylethyl]pyrrolidin-1-ium-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[1-hydroxy-2-[2-[(4-methoxyphenyl)thio]ethyl]pyrrolidin-1-ium-1-carbonyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C26H33N2O5S+ MolecularWeight: 485.61562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC2CCC[N+]2(C(=O)C3CCCN3C(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)SCCC2CCC[N+]2(C(=O)C3CCCN3C(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C26H33N2O5S/c1-32-22-11-13-23(14-12-22)34-18-15-21-9-6-17-28(21,31)25(29)24-10-5-16-27(24)26(30)33-19-20-7-3-2-4-8-20/h2-4,7-8,11-14,21,24,31H,5-6,9-10,15-19H2,1H3/q+1