ethyl-dimethyl-[2-oxidanyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]azanium

Systemtic Name: ethyl-dimethyl-[2-oxidanyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]azanium Openeye Name: ethyl-[2-hydroxy-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]-dimethyl-ammonium CAS Name: ethyl-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-dimethylammonium IUPAC Name: ethyl-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-dimethylazanium Traditional Name: ethyl-[2-hydroxy-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]-dimethyl-ammonium Formula: C21H38NO2+ MolecularWeight: 336.53192

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C)CC(COC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)O

Isomeric SMILES

CC[N+](C)(C)CC(COC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)O

InChI

InChI=1S/C21H38NO2/c1-9-22(7,8)14-18(23)15-24-19-12-10-17(11-13-19)21(5,6)16-20(2,3)4/h10-13,18,23H,9,14-16H2,1-8H3/q+1