[1-(3-tert-butyl-4-oxidanyl-phenyl)carbonyloxy-4,4-dimethyl-pentyl]-trimethyl-azanium

Systemtic Name: [1-(3-tert-butyl-4-oxidanyl-phenyl)carbonyloxy-4,4-dimethyl-pentyl]-trimethyl-azanium Openeye Name: [1-(3-tert-butyl-4-hydroxy-benzoyl)oxy-4,4-dimethyl-pentyl]-trimethyl-ammonium CAS Name: [1-[(3-tert-butyl-4-hydroxyphenyl)-oxomethoxy]-4,4-dimethylpentyl]-trimethylammonium IUPAC Name: [1-(3-tert-butyl-4-hydroxybenzoyl)oxy-4,4-dimethylpentyl]-trimethylazanium Traditional Name: [1-(3-tert-butyl-4-hydroxy-benzoyl)oxy-4,4-dimethyl-pentyl]-trimethyl-ammonium Formula: C21H36NO3+ MolecularWeight: 350.51544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCC([N+](C)(C)C)OC(=O)C1=CC(=C(C=C1)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)CCC([N+](C)(C)C)OC(=O)C1=CC(=C(C=C1)O)C(C)(C)C

InChI

InChI=1S/C21H35NO3/c1-20(2,3)13-12-18(22(7,8)9)25-19(24)15-10-11-17(23)16(14-15)21(4,5)6/h10-11,14,18H,12-13H2,1-9H3/p+1