(2,3-dimethylphenyl)methyl-ethoxy-phenoxy-(2,4,4-trimethylpentan-2-yl)azanium chloride

Systemtic Name: (2,3-dimethylphenyl)methyl-ethoxy-phenoxy-(2,4,4-trimethylpentan-2-yl)azanium chloride Openeye Name: (2,3-dimethylphenyl)methyl-ethoxy-phenoxy-(1,1,3,3-tetramethylbutyl)ammonium chloride CAS Name: (2,3-dimethylphenyl)methyl-ethoxy-phenoxy-(2,4,4-trimethylpentan-2-yl)ammonium chloride IUPAC Name: (2,3-dimethylphenyl)methyl-ethoxy-phenoxy-(2,4,4-trimethylpentan-2-yl)azanium chloride Traditional Name: (2,3-dimethylbenzyl)-ethoxy-phenoxy-(1,1,3,3-tetramethylbutyl)ammonium chloride Formula: C25H38ClNO2 MolecularWeight: 420.02772

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Descriptors Computed from Structure

Canonical SMILES:

CCO[N+](CC1=CC=CC(=C1C)C)(C(C)(C)CC(C)(C)C)OC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCO[N+](CC1=CC=CC(=C1C)C)(C(C)(C)CC(C)(C)C)OC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C25H38NO2.ClH/c1-9-27-26(25(7,8)19-24(4,5)6,28-23-16-11-10-12-17-23)18-22-15-13-14-20(2)21(22)3;/h10-17H,9,18-19H2,1-8H3;1H/q+1;/p-1