[2-ethoxy-2-[4-(2-methylheptan-2-yl)phenoxy]ethyl]-dimethyl-(phenylmethyl)azanium

Systemtic Name: [2-ethoxy-2-[4-(2-methylheptan-2-yl)phenoxy]ethyl]-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[4-(1,1-dimethylhexyl)phenoxy]-2-ethoxy-ethyl]-dimethyl-ammonium CAS Name: [2-ethoxy-2-[4-(2-methylheptan-2-yl)phenoxy]ethyl]-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-ethoxy-2-[4-(2-methylheptan-2-yl)phenoxy]ethyl]-dimethylazanium Traditional Name: benzyl-[2-[4-(1,1-dimethylhexyl)phenoxy]-2-ethoxy-ethyl]-dimethyl-ammonium Formula: C27H42NO2+ MolecularWeight: 412.62788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42NO2/c1-7-9-13-20-27(3,4)24-16-18-25(19-17-24)30-26(29-8-2)22-28(5,6)21-23-14-11-10-12-15-23/h10-12,14-19,26H,7-9,13,20-22H2,1-6H3/q+1