[2,6-dimethyl-4-[2-(2-methylphenoxy)ethoxymethyl]heptan-4-yl]-dimethyl-(phenylmethyl)azanium

Systemtic Name: [2,6-dimethyl-4-[2-(2-methylphenoxy)ethoxymethyl]heptan-4-yl]-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-[1-isobutyl-3-methyl-1-[2-(2-methylphenoxy)ethoxymethyl]butyl]-dimethyl-ammonium CAS Name: [2,6-dimethyl-4-[2-(2-methylphenoxy)ethoxymethyl]heptan-4-yl]-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2,6-dimethyl-4-[2-(2-methylphenoxy)ethoxymethyl]heptan-4-yl]-dimethylazanium Traditional Name: benzyl-[1-isobutyl-3-methyl-1-[2-(2-methylphenoxy)ethoxymethyl]butyl]-dimethyl-ammonium Formula: C28H44NO2+ MolecularWeight: 426.65446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCOCC(CC(C)C)(CC(C)C)[N+](C)(C)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1OCCOCC(CC(C)C)(CC(C)C)[N+](C)(C)CC2=CC=CC=C2

InChI

InChI=1S/C28H44NO2/c1-23(2)19-28(20-24(3)4,29(6,7)21-26-14-9-8-10-15-26)22-30-17-18-31-27-16-12-11-13-25(27)5/h8-16,23-24H,17-22H2,1-7H3/q+1