[2-oxidanyl-2-(4-phenylmethoxyphenyl)ethyl]-(4-phenylbutan-2-yl)-prop-2-enyl-azanium chloride

Systemtic Name: [2-oxidanyl-2-(4-phenylmethoxyphenyl)ethyl]-(4-phenylbutan-2-yl)-prop-2-enyl-azanium chloride Openeye Name: allyl-[2-(4-benzyloxyphenyl)-2-hydroxy-ethyl]-(1-methyl-3-phenyl-propyl)ammonium chloride CAS Name: [2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-(4-phenylbutan-2-yl)-prop-2-enylammonium chloride IUPAC Name: [2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-(4-phenylbutan-2-yl)-prop-2-enylazanium chloride Traditional Name: allyl-[2-(4-benzoxyphenyl)-2-hydroxy-ethyl]-(1-methyl-3-phenyl-propyl)ammonium chloride Formula: C28H34ClNO2 MolecularWeight: 452.02806

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH+](CC=C)CC(C2=CC=C(C=C2)OCC3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CC(CCC1=CC=CC=C1)[NH+](CC=C)CC(C2=CC=C(C=C2)OCC3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C28H33NO2.ClH/c1-3-20-29(23(2)14-15-24-10-6-4-7-11-24)21-28(30)26-16-18-27(19-17-26)31-22-25-12-8-5-9-13-25;/h3-13,16-19,23,28,30H,1,14-15,20-22H2,2H3;1H