[2-ethoxy-2-[2-methyl-5-(2-methylheptan-2-yl)phenoxy]ethyl]-dimethyl-(phenylmethyl)azanium

Systemtic Name: [2-ethoxy-2-[2-methyl-5-(2-methylheptan-2-yl)phenoxy]ethyl]-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[5-(1,1-dimethylhexyl)-2-methyl-phenoxy]-2-ethoxy-ethyl]-dimethyl-ammonium CAS Name: [2-ethoxy-2-[2-methyl-5-(2-methylheptan-2-yl)phenoxy]ethyl]-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-ethoxy-2-[2-methyl-5-(2-methylheptan-2-yl)phenoxy]ethyl]-dimethylazanium Traditional Name: benzyl-[2-[5-(1,1-dimethylhexyl)-2-methyl-phenoxy]-2-ethoxy-ethyl]-dimethyl-ammonium Formula: C28H44NO2+ MolecularWeight: 426.65446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C=C1)C)OC(C[N+](C)(C)CC2=CC=CC=C2)OCC

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C=C1)C)OC(C[N+](C)(C)CC2=CC=CC=C2)OCC

InChI

InChI=1S/C28H44NO2/c1-8-10-14-19-28(4,5)25-18-17-23(3)26(20-25)31-27(30-9-2)22-29(6,7)21-24-15-12-11-13-16-24/h11-13,15-18,20,27H,8-10,14,19,21-22H2,1-7H3/q+1