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

Systemtic Name: 2-acetamidoethyl-[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium Openeye Name: 2-acetamidoethyl-[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]ammonium CAS Name: 2-acetamidoethyl-[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]ammonium IUPAC Name: 2-acetamidoethyl-[(3R)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]azanium Traditional Name: 2-acetamidoethyl-[(3R)-6-hydroxycoumaran-3-yl]ammonium Formula: C12H17N2O3+ MolecularWeight: 237.27498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC[NH2+]C1COC2=C1C=CC(=C2)O

Isomeric SMILES

CC(=O)NCC[NH2+][C@H]1COC2=C1C=CC(=C2)O

InChI

InChI=1S/C12H16N2O3/c1-8(15)13-4-5-14-11-7-17-12-6-9(16)2-3-10(11)12/h2-3,6,11,14,16H,4-5,7H2,1H3,(H,13,15)/p+1/t11-/m0/s1