[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]-[(1S)-1-phenylethyl]azanium

Systemtic Name: [(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]-[(1S)-1-phenylethyl]azanium Openeye Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[(1S)-1-phenylethyl]ammonium CAS Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[(1S)-1-phenylethyl]ammonium IUPAC Name: [(3R)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-[(1S)-1-phenylethyl]azanium Traditional Name: [(3R)-6-hydroxycoumaran-3-yl]-[(1S)-1-phenylethyl]ammonium Formula: C16H18NO2+ MolecularWeight: 256.31962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]C2COC3=C2C=CC(=C3)O

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH2+][C@H]2COC3=C2C=CC(=C3)O

InChI

InChI=1S/C16H17NO2/c1-11(12-5-3-2-4-6-12)17-15-10-19-16-9-13(18)7-8-14(15)16/h2-9,11,15,17-18H,10H2,1H3/p+1/t11-,15-/m0/s1