2-(2-methylphenoxy)ethyl-bis(2-methylpropyl)-(2-phenylpropan-2-yl)azanium

Systemtic Name: 2-(2-methylphenoxy)ethyl-bis(2-methylpropyl)-(2-phenylpropan-2-yl)azanium Openeye Name: diisobutyl-[2-(2-methylphenoxy)ethyl]-(1-methyl-1-phenyl-ethyl)ammonium CAS Name: 2-(2-methylphenoxy)ethyl-bis(2-methylpropyl)-(2-phenylpropan-2-yl)ammonium IUPAC Name: 2-(2-methylphenoxy)ethyl-bis(2-methylpropyl)-(2-phenylpropan-2-yl)azanium Traditional Name: cumyl-diisobutyl-[2-(2-methylphenoxy)ethyl]ammonium Formula: C26H40NO+ MolecularWeight: 382.6019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC[N+](CC(C)C)(CC(C)C)C(C)(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1OCC[N+](CC(C)C)(CC(C)C)C(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C26H40NO/c1-21(2)19-27(20-22(3)4,26(6,7)24-14-9-8-10-15-24)17-18-28-25-16-12-11-13-23(25)5/h8-16,21-22H,17-20H2,1-7H3/q+1