octyl-[1-(1-phenoxyethoxy)ethyl]-(2-phenylpropan-2-yl)azanium chloride

Systemtic Name: octyl-[1-(1-phenoxyethoxy)ethyl]-(2-phenylpropan-2-yl)azanium chloride Openeye Name: (1-methyl-1-phenyl-ethyl)-octyl-[1-(1-phenoxyethoxy)ethyl]ammonium chloride CAS Name: octyl-[1-(1-phenoxyethoxy)ethyl]-(2-phenylpropan-2-yl)ammonium chloride IUPAC Name: octyl-[1-(1-phenoxyethoxy)ethyl]-(2-phenylpropan-2-yl)azanium chloride Traditional Name: cumyl-octyl-[1-(1-phenoxyethoxy)ethyl]ammonium chloride Formula: C27H42ClNO2 MolecularWeight: 448.08088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[NH+](C(C)OC(C)OC1=CC=CC=C1)C(C)(C)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCC[NH+](C(C)OC(C)OC1=CC=CC=C1)C(C)(C)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C27H41NO2.ClH/c1-6-7-8-9-10-17-22-28(27(4,5)25-18-13-11-14-19-25)23(2)29-24(3)30-26-20-15-12-16-21-26;/h11-16,18-21,23-24H,6-10,17,22H2,1-5H3;1H