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

Systemtic Name: 1-(1-methylazepan-1-ium-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol Openeye Name: 1-(1-methylazepan-1-ium-1-yl)-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propan-2-ol CAS Name: 1-(1-methyl-1-azepan-1-iumyl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-2-propanol IUPAC Name: 1-(1-methylazepan-1-ium-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol Traditional Name: 1-(1-methylazepan-1-ium-1-yl)-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propan-2-ol Formula: C24H42NO2+ MolecularWeight: 376.59578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC(C[N+]2(CCCCCC2)C)O

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC(C[N+]2(CCCCCC2)C)O

InChI

InChI=1S/C24H42NO2/c1-23(2,3)19-24(4,5)20-11-13-22(14-12-20)27-18-21(26)17-25(6)15-9-7-8-10-16-25/h11-14,21,26H,7-10,15-19H2,1-6H3/q+1