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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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