2-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]ethoxy]ethyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 2-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]ethoxy]ethyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[2-[4-(1-isopropyl-3-methyl-butyl)phenoxy]ethoxy]ethyl]-dimethyl-ammonium CAS Name: 2-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]ethoxy]ethyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[2-[4-(2,5-dimethylhexan-3-yl)phenoxy]ethoxy]ethyl]-dimethylazanium Traditional Name: benzyl-[2-[2-[4-(1-isopropyl-3-methyl-butyl)phenoxy]ethoxy]ethyl]-dimethyl-ammonium Formula: C27H42NO2+ MolecularWeight: 412.62788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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