(3-methoxy-4-oxidanyl-phenyl)methyl-phenethyl-azanium chloride

Systemtic Name: (3-methoxy-4-oxidanyl-phenyl)methyl-phenethyl-azanium chloride Openeye Name: (4-hydroxy-3-methoxy-phenyl)methyl-phenethyl-ammonium chloride CAS Name: (4-hydroxy-3-methoxyphenyl)methyl-phenethylammonium chloride IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl-phenethylazanium chloride Traditional Name: phenethyl(vanillyl)ammonium chloride Formula: C16H20ClNO2 MolecularWeight: 293.7885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCC2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCC2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C16H19NO2.ClH/c1-19-16-11-14(7-8-15(16)18)12-17-10-9-13-5-3-2-4-6-13;/h2-8,11,17-18H,9-10,12H2,1H3;1H