1-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropanoyl]-2-methyl-pyrrolidin-1-ium-1-carboxylate

Systemtic Name: 1-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropanoyl]-2-methyl-pyrrolidin-1-ium-1-carboxylate Openeye Name: 1-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylpropanoyl]-2-methyl-pyrrolidin-1-ium-1-carboxylate CAS Name: 1-[3-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-oxopropyl]-2-methyl-1-pyrrolidin-1-iumcarboxylate IUPAC Name: 1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropanoyl]-2-methylpyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[3-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]propanoyl]-2-methyl-pyrrolidin-1-ium-1-carboxylate Formula: C23H35NO4S MolecularWeight: 421.5933

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[N+]1(C(=O)CCSC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1CCC[N+]1(C(=O)CCSC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C23H35NO4S/c1-15-9-8-11-24(15,21(27)28)19(25)10-12-29-16-13-17(22(2,3)4)20(26)18(14-16)23(5,6)7/h13-15H,8-12H2,1-7H3,(H-,26,27,28)