1-(1-ethylazepan-1-ium-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol

Systemtic Name: 1-(1-ethylazepan-1-ium-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol Openeye Name: 1-(1-ethylazepan-1-ium-1-yl)-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propan-2-ol CAS Name: 1-(1-ethyl-1-azepan-1-iumyl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-2-propanol IUPAC Name: 1-(1-ethylazepan-1-ium-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol Traditional Name: 1-(1-ethylazepan-1-ium-1-yl)-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propan-2-ol Formula: C25H44NO2+ MolecularWeight: 390.62236

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCCC1)CC(COC2=CC=C(C=C2)C(C)(C)CC(C)(C)C)O

Isomeric SMILES

CC[N+]1(CCCCCC1)CC(COC2=CC=C(C=C2)C(C)(C)CC(C)(C)C)O

InChI

InChI=1S/C25H44NO2/c1-7-26(16-10-8-9-11-17-26)18-22(27)19-28-23-14-12-21(13-15-23)25(5,6)20-24(2,3)4/h12-15,22,27H,7-11,16-20H2,1-6H3/q+1