2,6-ditert-butyl-4-[3-[2-[1-(octoxymethyl)pyrrolidin-1-ium-1-yl]ethoxy]-3-oxidanylidene-propyl]phenolate

Systemtic Name: 2,6-ditert-butyl-4-[3-[2-[1-(octoxymethyl)pyrrolidin-1-ium-1-yl]ethoxy]-3-oxidanylidene-propyl]phenolate Openeye Name: 2,6-ditert-butyl-4-[3-[2-[1-(octoxymethyl)pyrrolidin-1-ium-1-yl]ethoxy]-3-oxo-propyl]phenolate CAS Name: 2,6-ditert-butyl-4-[3-[2-[1-(octoxymethyl)-1-pyrrolidin-1-iumyl]ethoxy]-3-oxopropyl]phenolate IUPAC Name: 2,6-ditert-butyl-4-[3-[2-[1-(octoxymethyl)pyrrolidin-1-ium-1-yl]ethoxy]-3-oxopropyl]phenolate Traditional Name: 2,6-ditert-butyl-4-[3-keto-3-[2-[1-(octoxymethyl)pyrrolidin-1-ium-1-yl]ethoxy]propyl]phenolate Formula: C32H55NO4 MolecularWeight: 517.7834

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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