2-hydroxyethyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium

Systemtic Name: 2-hydroxyethyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium Openeye Name: 2-hydroxyethyl-[3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]ammonium CAS Name: 2-hydroxyethyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ammonium IUPAC Name: 2-hydroxyethyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium Traditional Name: 3-(4-cumylphenoxy)propyl-(2-hydroxyethyl)ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCC[NH2+]CCO

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCC[NH2+]CCO

InChI

InChI=1S/C20H27NO2/c1-20(2,17-7-4-3-5-8-17)18-9-11-19(12-10-18)23-16-6-13-21-14-15-22/h3-5,7-12,21-22H,6,13-16H2,1-2H3/p+1