(4-methylphenyl)methyl-[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium

Systemtic Name: (4-methylphenyl)methyl-[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium Openeye Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-(p-tolylmethyl)ammonium CAS Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[(4-methylphenyl)methyl]ammonium IUPAC Name: [(3R)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-[(4-methylphenyl)methyl]azanium Traditional Name: [(3R)-6-hydroxycoumaran-3-yl]-(4-methylbenzyl)ammonium Formula: C16H18NO2+ MolecularWeight: 256.31962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH2+]C2COC3=C2C=CC(=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)C[NH2+][C@H]2COC3=C2C=CC(=C3)O

InChI

InChI=1S/C16H17NO2/c1-11-2-4-12(5-3-11)9-17-15-10-19-16-8-13(18)6-7-14(15)16/h2-8,15,17-18H,9-10H2,1H3/p+1/t15-/m0/s1