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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-3-4-9(2)14-12-8-16-13-7-10(15)5-6-11(12)13/h5-7,9,12,14-15H,3-4,8H2,1-2H3/p+1/t9-,12-/m0/s1