[2-ethoxy-3-methyl-1-phenyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butan-2-yl]azanium chloride

Systemtic Name: [2-ethoxy-3-methyl-1-phenyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butan-2-yl]azanium chloride Openeye Name: [1-benzyl-1-ethoxy-2-methyl-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]ammonium chloride CAS Name: [2-ethoxy-3-methyl-1-phenyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butan-2-yl]ammonium chloride IUPAC Name: [2-ethoxy-3-methyl-1-phenyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butan-2-yl]azanium chloride Traditional Name: [1-benzyl-1-ethoxy-2-methyl-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]ammonium chloride Formula: C27H42ClNO2 MolecularWeight: 448.08088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=CC=C1)(C(C)(C)OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C)[NH3+].[Cl-]

Isomeric SMILES

CCOC(CC1=CC=CC=C1)(C(C)(C)OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C)[NH3+].[Cl-]

InChI

InChI=1S/C27H41NO2.ClH/c1-9-29-27(28,19-21-13-11-10-12-14-21)26(7,8)30-23-17-15-22(16-18-23)25(5,6)20-24(2,3)4;/h10-18H,9,19-20,28H2,1-8H3;1H