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

Systemtic Name: dimethyl-[2-[2-[3-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-dimethyl-[2-[2-[3-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium CAS Name: dimethyl-[2-[2-[3-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-dimethyl-[2-[2-[3-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium Traditional Name: benzyl-dimethyl-[2-[2-[3-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium Formula: C28H44NO2+ MolecularWeight: 426.65446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44NO2/c1-23-20-25(14-15-26(23)28(5,6)22-27(2,3)4)31-19-18-30-17-16-29(7,8)21-24-12-10-9-11-13-24/h9-15,20H,16-19,21-22H2,1-8H3/q+1