[(2S)-5-methylhexan-2-yl]-[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium

Systemtic Name: [(2S)-5-methylhexan-2-yl]-[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]ammonium CAS Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: [(3R)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-[(3R)-6-hydroxycoumaran-3-yl]ammonium Formula: C15H24NO2+ MolecularWeight: 250.35656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO2/c1-10(2)4-5-11(3)16-14-9-18-15-8-12(17)6-7-13(14)15/h6-8,10-11,14,16-17H,4-5,9H2,1-3H3/p+1/t11-,14-/m0/s1