[(1S)-1-(4-methoxy-2-oxidanyl-phenyl)ethyl]-phenethyl-azanium

Systemtic Name: [(1S)-1-(4-methoxy-2-oxidanyl-phenyl)ethyl]-phenethyl-azanium Openeye Name: [(1S)-1-(2-hydroxy-4-methoxy-phenyl)ethyl]-phenethyl-ammonium CAS Name: [(1S)-1-(2-hydroxy-4-methoxyphenyl)ethyl]-phenethylammonium IUPAC Name: [(1S)-1-(2-hydroxy-4-methoxyphenyl)ethyl]-phenethylazanium Traditional Name: [(1S)-1-(2-hydroxy-4-methoxy-phenyl)ethyl]-phenethyl-ammonium Formula: C17H22NO2+ MolecularWeight: 272.36208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=C(C=C(C=C1)OC)O)[NH2+]CCC2=CC=CC=C2

InChI

InChI=1S/C17H21NO2/c1-13(16-9-8-15(20-2)12-17(16)19)18-11-10-14-6-4-3-5-7-14/h3-9,12-13,18-19H,10-11H2,1-2H3/p+1/t13-/m0/s1