2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyloxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyloxy]ethyl-dimethyl-azanium Openeye Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyloxy]ethyl-dimethyl-ammonium CAS Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropoxy]ethyl-dimethylammonium IUPAC Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl-dimethylazanium Traditional Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyloxy]ethyl-dimethyl-ammonium Formula: C21H36NO3+ MolecularWeight: 350.51544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC[NH+](C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC[NH+](C)C

InChI

InChI=1S/C21H35NO3/c1-20(2,3)16-13-15(14-17(19(16)24)21(4,5)6)9-10-18(23)25-12-11-22(7)8/h13-14,24H,9-12H2,1-8H3/p+1