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

Systemtic Name: (2,3-dimethylphenyl)methyl-ethoxy-ethyl-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]azanium Openeye Name: (2,3-dimethylphenyl)methyl-ethoxy-ethyl-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ammonium CAS Name: (2,3-dimethylphenyl)methyl-ethoxy-ethyl-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ammonium IUPAC Name: (2,3-dimethylphenyl)methyl-ethoxy-ethyl-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]azanium Traditional Name: (2,3-dimethylbenzyl)-ethoxy-ethyl-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ammonium Formula: C27H42NO2+ MolecularWeight: 412.62788

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC1=CC=CC(=C1C)C)(OCC)OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C

Isomeric SMILES

CC[N+](CC1=CC=CC(=C1C)C)(OCC)OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C

InChI

InChI=1S/C27H42NO2/c1-10-28(29-11-2,19-23-14-12-13-21(3)22(23)4)30-25-17-15-24(16-18-25)27(8,9)20-26(5,6)7/h12-18H,10-11,19-20H2,1-9H3/q+1