2-[1-(octoxymethyl)pyrrolidin-1-ium-1-yl]ethyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: 2-[1-(octoxymethyl)pyrrolidin-1-ium-1-yl]ethyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: 2-[1-(octoxymethyl)pyrrolidin-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-(octoxymethyl)-1-pyrrolidin-1-iumyl]ethyl ester IUPAC Name: 2-[1-(octoxymethyl)pyrrolidin-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-(octoxymethyl)pyrrolidin-1-ium-1-yl]ethyl ester Formula: C32H56NO4+ MolecularWeight: 518.79134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H55NO4/c1-8-9-10-11-12-15-21-36-25-33(18-13-14-19-33)20-22-37-29(34)17-16-26-23-27(31(2,3)4)30(35)28(24-26)32(5,6)7/h23-24H,8-22,25H2,1-7H3/p+1