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

Systemtic Name: [(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-4-phenylbutan-2-yl]azanium Openeye Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[(1R)-1-methyl-3-phenyl-propyl]ammonium CAS Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[(2R)-4-phenylbutan-2-yl]ammonium IUPAC Name: [(3R)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-4-phenylbutan-2-yl]azanium Traditional Name: [(3R)-6-hydroxycoumaran-3-yl]-[(1R)-1-methyl-3-phenyl-propyl]ammonium Formula: C18H22NO2+ MolecularWeight: 284.37278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH2+]C2COC3=C2C=CC(=C3)O

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH2+][C@H]2COC3=C2C=CC(=C3)O

InChI

InChI=1S/C18H21NO2/c1-13(7-8-14-5-3-2-4-6-14)19-17-12-21-18-11-15(20)9-10-16(17)18/h2-6,9-11,13,17,19-20H,7-8,12H2,1H3/p+1/t13-,17+/m1/s1