(1-ethoxy-3,3,5,5-tetramethyl-2-phenoxy-hexan-2-yl)-dimethyl-(phenylmethyl)azanium chloride

Systemtic Name: (1-ethoxy-3,3,5,5-tetramethyl-2-phenoxy-hexan-2-yl)-dimethyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-[1-(ethoxymethyl)-2,2,4,4-tetramethyl-1-phenoxy-pentyl]-dimethyl-ammonium chloride CAS Name: (1-ethoxy-3,3,5,5-tetramethyl-2-phenoxyhexan-2-yl)-dimethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(1-ethoxy-3,3,5,5-tetramethyl-2-phenoxyhexan-2-yl)-dimethylazanium chloride Traditional Name: benzyl-[1-(ethoxymethyl)-2,2,4,4-tetramethyl-1-phenoxy-pentyl]-dimethyl-ammonium chloride Formula: C27H42ClNO2 MolecularWeight: 448.08088

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(C(C)(C)CC(C)(C)C)([N+](C)(C)CC1=CC=CC=C1)OC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCOCC(C(C)(C)CC(C)(C)C)([N+](C)(C)CC1=CC=CC=C1)OC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C27H42NO2.ClH/c1-9-29-22-27(26(5,6)21-25(2,3)4,30-24-18-14-11-15-19-24)28(7,8)20-23-16-12-10-13-17-23;/h10-19H,9,20-22H2,1-8H3;1H/q+1;/p-1