[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-pentan-3-yl]-tert-butyl-dimethyl-azanium

Systemtic Name: [2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-pentan-3-yl]-tert-butyl-dimethyl-azanium Openeye Name: tert-butyl-[2-(3,4-dihydroxyphenyl)-1-ethyl-2-hydroxy-propyl]-dimethyl-ammonium CAS Name: tert-butyl-[2-(3,4-dihydroxyphenyl)-2-hydroxypentan-3-yl]-dimethylammonium IUPAC Name: tert-butyl-[2-(3,4-dihydroxyphenyl)-2-hydroxypentan-3-yl]-dimethylazanium Traditional Name: tert-butyl-[2-(3,4-dihydroxyphenyl)-1-ethyl-2-hydroxy-propyl]-dimethyl-ammonium Formula: C17H30NO3+ MolecularWeight: 296.425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO3/c1-8-15(18(6,7)16(2,3)4)17(5,21)12-9-10-13(19)14(20)11-12/h9-11,15,21H,8H2,1-7H3,(H-,19,20)/p+1