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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2/c1-8(2)6-13-11-7-15-12-5-9(14)3-4-10(11)12/h3-5,8,11,13-14H,6-7H2,1-2H3/p+1/t11-/m0/s1