1-[1-[2,3-bis(2-methylpropyl)phenoxy]ethoxy]ethyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 1-[1-[2,3-bis(2-methylpropyl)phenoxy]ethoxy]ethyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-[1-[1-(2,3-diisobutylphenoxy)ethoxy]ethyl]-dimethyl-ammonium CAS Name: 1-[1-[2,3-bis(2-methylpropyl)phenoxy]ethoxy]ethyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[1-[1-[2,3-bis(2-methylpropyl)phenoxy]ethoxy]ethyl]-dimethylazanium Traditional Name: benzyl-[1-[1-(2,3-diisobutylphenoxy)ethoxy]ethyl]-dimethyl-ammonium Formula: C27H42NO2+ MolecularWeight: 412.62788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=CC=C1)OC(C)OC(C)[N+](C)(C)CC2=CC=CC=C2)CC(C)C

Isomeric SMILES

CC(C)CC1=C(C(=CC=C1)OC(C)OC(C)[N+](C)(C)CC2=CC=CC=C2)CC(C)C

InChI

InChI=1S/C27H42NO2/c1-20(2)17-25-15-12-16-27(26(25)18-21(3)4)30-23(6)29-22(5)28(7,8)19-24-13-10-9-11-14-24/h9-16,20-23H,17-19H2,1-8H3/q+1