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

Systemtic Name: [(2S)-butan-2-yl]-[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium Openeye Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(3R)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]azanium Traditional Name: [(3R)-6-hydroxycoumaran-3-yl]-[(1S)-1-methylpropyl]ammonium Formula: C12H18NO2+ MolecularWeight: 208.27682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2/c1-3-8(2)13-11-7-15-12-6-9(14)4-5-10(11)12/h4-6,8,11,13-14H,3,7H2,1-2H3/p+1/t8-,11-/m0/s1