[4-[4-[ethoxy-(2-methylphenoxy)methyl]-2,6-dimethyl-heptan-4-yl]phenyl]methyl-dimethyl-azanium chloride

Systemtic Name: [4-[4-[ethoxy-(2-methylphenoxy)methyl]-2,6-dimethyl-heptan-4-yl]phenyl]methyl-dimethyl-azanium chloride Openeye Name: [4-[1-[ethoxy-(2-methylphenoxy)methyl]-1-isobutyl-3-methyl-butyl]phenyl]methyl-dimethyl-ammonium chloride CAS Name: [4-[4-[ethoxy-(2-methylphenoxy)methyl]-2,6-dimethylheptan-4-yl]phenyl]methyl-dimethylammonium chloride IUPAC Name: [4-[4-[ethoxy-(2-methylphenoxy)methyl]-2,6-dimethylheptan-4-yl]phenyl]methyl-dimethylazanium chloride Traditional Name: [4-[1-[ethoxy-(2-methylphenoxy)methyl]-1-isobutyl-3-methyl-butyl]benzyl]-dimethyl-ammonium chloride Formula: C28H44ClNO2 MolecularWeight: 462.10746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(CC(C)C)(CC(C)C)C1=CC=C(C=C1)C[NH+](C)C)OC2=CC=CC=C2C.[Cl-]

Isomeric SMILES

CCOC(C(CC(C)C)(CC(C)C)C1=CC=C(C=C1)C[NH+](C)C)OC2=CC=CC=C2C.[Cl-]

InChI

InChI=1S/C28H43NO2.ClH/c1-9-30-27(31-26-13-11-10-12-23(26)6)28(18-21(2)3,19-22(4)5)25-16-14-24(15-17-25)20-29(7)8;/h10-17,21-22,27H,9,18-20H2,1-8H3;1H