2-(2-hydroxyphenyl)ethyl-methyl-[1-[(1-oxidanyl-2-phenyl-ethyl)amino]hexyl]-phenyl-azanium chloride

Systemtic Name: 2-(2-hydroxyphenyl)ethyl-methyl-[1-[(1-oxidanyl-2-phenyl-ethyl)amino]hexyl]-phenyl-azanium chloride Openeye Name: 2-(2-hydroxyphenyl)ethyl-[1-[(1-hydroxy-2-phenyl-ethyl)amino]hexyl]-methyl-phenyl-ammonium chloride CAS Name: 2-(2-hydroxyphenyl)ethyl-[1-[(1-hydroxy-2-phenylethyl)amino]hexyl]-methyl-phenylammonium chloride IUPAC Name: 2-(2-hydroxyphenyl)ethyl-[1-[(1-hydroxy-2-phenylethyl)amino]hexyl]-methyl-phenylazanium chloride Traditional Name: 2-(2-hydroxyphenyl)ethyl-[1-[(1-hydroxy-2-phenyl-ethyl)amino]hexyl]-methyl-phenyl-ammonium chloride Formula: C29H39ClN2O2 MolecularWeight: 483.08516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(NC(CC1=CC=CC=C1)O)[N+](C)(CCC2=CC=CC=C2O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCCCCC(NC(CC1=CC=CC=C1)O)[N+](C)(CCC2=CC=CC=C2O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C29H38N2O2.ClH/c1-3-4-7-20-28(30-29(33)23-24-14-8-5-9-15-24)31(2,26-17-10-6-11-18-26)22-21-25-16-12-13-19-27(25)32;/h5-6,8-19,28-30,33H,3-4,7,20-23H2,1-2H3;1H