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

Systemtic Name: [(2S)-6-methylheptan-2-yl]-[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium Openeye Name: [(1S)-1,5-dimethylhexyl]-[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]ammonium CAS Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[(2S)-6-methylheptan-2-yl]ammonium IUPAC Name: [(3R)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-[(2S)-6-methylheptan-2-yl]azanium Traditional Name: [(1S)-1,5-dimethylhexyl]-[(3R)-6-hydroxycoumaran-3-yl]ammonium Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2/c1-11(2)5-4-6-12(3)17-15-10-19-16-9-13(18)7-8-14(15)16/h7-9,11-12,15,17-18H,4-6,10H2,1-3H3/p+1/t12-,15-/m0/s1