tert-butyl-[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: tert-butyl-[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: tert-butyl-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl]-dimethyl-ammonium CAS Name: tert-butyl-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl]-dimethylammonium IUPAC Name: tert-butyl-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl]-dimethylazanium Traditional Name: tert-butyl-[2-hydroxy-2-(4-hydroxy-3-methylol-phenyl)propyl]-dimethyl-ammonium Formula: C16H28NO3+ MolecularWeight: 282.39842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO3/c1-15(2,3)17(5,6)11-16(4,20)13-7-8-14(19)12(9-13)10-18/h7-9,18,20H,10-11H2,1-6H3/p+1