[(1S,2S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-hexyl]azanium

Systemtic Name: [(1S,2S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-hexyl]azanium Openeye Name: [(1S,2S)-1-(2,3-dihydrobenzofuran-5-yl)-2-ethyl-hexyl]ammonium CAS Name: [(1S,2S)-1-(2,3-dihydrobenzofuran-5-yl)-2-ethylhexyl]ammonium IUPAC Name: [(1S,2S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylhexyl]azanium Traditional Name: [(1S,2S)-1-coumaran-5-yl-2-ethyl-hexyl]ammonium Formula: C16H26NO+ MolecularWeight: 248.38374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(C1=CC2=C(C=C1)OCC2)[NH3+]

Isomeric SMILES

CCCC[C@H](CC)[C@@H](C1=CC2=C(C=C1)OCC2)[NH3+]

InChI

InChI=1S/C16H25NO/c1-3-5-6-12(4-2)16(17)14-7-8-15-13(11-14)9-10-18-15/h7-8,11-12,16H,3-6,9-10,17H2,1-2H3/p+1/t12-,16-/m0/s1