1-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropanoyl]pyrrolidin-1-ium-1-carboxylic acid

Systemtic Name: 1-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropanoyl]pyrrolidin-1-ium-1-carboxylic acid Openeye Name: 1-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylpropanoyl]pyrrolidin-1-ium-1-carboxylic acid CAS Name: 1-[3-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-oxopropyl]-1-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropanoyl]pyrrolidin-1-ium-1-carboxylic acid Traditional Name: 1-[3-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]propanoyl]pyrrolidin-1-ium-1-carboxylic acid Formula: C22H34NO4S+ MolecularWeight: 408.57466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC(=O)[N+]2(CCCC2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC(=O)[N+]2(CCCC2)C(=O)O

InChI

InChI=1S/C22H33NO4S/c1-21(2,3)16-13-15(14-17(19(16)25)22(4,5)6)28-12-9-18(24)23(20(26)27)10-7-8-11-23/h13-14H,7-12H2,1-6H3,(H-,25,26,27)/p+1