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

Systemtic Name: [(2S)-3-methylbutan-2-yl]-[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium Openeye Name: [(1S)-1,2-dimethylpropyl]-[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]ammonium CAS Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[(2S)-3-methylbutan-2-yl]ammonium IUPAC Name: [(3R)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-[(2S)-3-methylbutan-2-yl]azanium Traditional Name: [(1S)-1,2-dimethylpropyl]-[(3R)-6-hydroxycoumaran-3-yl]ammonium Formula: C13H20NO2+ MolecularWeight: 222.3034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-8(2)9(3)14-12-7-16-13-6-10(15)4-5-11(12)13/h4-6,8-9,12,14-15H,7H2,1-3H3/p+1/t9-,12-/m0/s1