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

Systemtic Name: (3-methoxy-4-oxidanyl-phenyl)methyl-phenethyl-azanium Openeye Name: (4-hydroxy-3-methoxy-phenyl)methyl-phenethyl-ammonium CAS Name: (4-hydroxy-3-methoxyphenyl)methyl-phenethylammonium IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl-phenethylazanium Traditional Name: phenethyl(vanillyl)ammonium Formula: C16H20NO2+ MolecularWeight: 258.3355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO2/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/p+1