2-[2-[2,4-bis(2-methylpropyl)phenoxy]ethoxy]ethyl-dimethyl-(phenylmethyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42NO2/c1-22(2)18-25-12-13-27(26(20-25)19-23(3)4)30-17-16-29-15-14-28(5,6)21-24-10-8-7-9-11-24/h7-13,20,22-23H,14-19,21H2,1-6H3/q+1