2-(1-octylpyrrolidin-1-ium-1-yl)ethyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: 2-(1-octylpyrrolidin-1-ium-1-yl)ethyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: 2-(1-octylpyrrolidin-1-ium-1-yl)ethyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid 2-(1-octyl-1-pyrrolidin-1-iumyl)ethyl ester IUPAC Name: 2-(1-octylpyrrolidin-1-ium-1-yl)ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid 2-(1-octylpyrrolidin-1-ium-1-yl)ethyl ester Formula: C31H54NO3+ MolecularWeight: 488.76536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(CCCC1)CCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCC[N+]1(CCCC1)CCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C31H53NO3/c1-8-9-10-11-12-13-18-32(19-14-15-20-32)21-22-35-28(33)17-16-25-23-26(30(2,3)4)29(34)27(24-25)31(5,6)7/h23-24H,8-22H2,1-7H3/p+1