(phenylmethyl) 2-[1-oxidanyl-2-(2-propan-2-ylsulfanylethyl)pyrrolidin-1-ium-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[1-oxidanyl-2-(2-propan-2-ylsulfanylethyl)pyrrolidin-1-ium-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: benzyl 2-[1-hydroxy-2-(2-isopropylsulfanylethyl)pyrrolidin-1-ium-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[1-hydroxy-2-[2-(propan-2-ylthio)ethyl]-1-pyrrolidin-1-iumyl]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-hydroxy-2-(2-propan-2-ylsulfanylethyl)pyrrolidin-1-ium-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[1-hydroxy-2-[2-(isopropylthio)ethyl]pyrrolidin-1-ium-1-carbonyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H33N2O4S+ MolecularWeight: 421.57342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCC1CCC[N+]1(C(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)SCCC1CCC[N+]1(C(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C22H33N2O4S/c1-17(2)29-15-12-19-10-7-14-24(19,27)21(25)20-11-6-13-23(20)22(26)28-16-18-8-4-3-5-9-18/h3-5,8-9,17,19-20,27H,6-7,10-16H2,1-2H3/q+1