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

Systemtic Name: [(2R)-1-oxidanylbutan-2-yl]-[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium Openeye Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: [(2R)-1-hydroxybutan-2-yl]-[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]ammonium IUPAC Name: [(2R)-1-hydroxybutan-2-yl]-[(3R)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]azanium Traditional Name: [(3R)-6-hydroxycoumaran-3-yl]-[(1R)-1-methylolpropyl]ammonium Formula: C12H18NO3+ MolecularWeight: 224.27622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3/c1-2-8(6-14)13-11-7-16-12-5-9(15)3-4-10(11)12/h3-5,8,11,13-15H,2,6-7H2,1H3/p+1/t8-,11+/m1/s1