[(2S,3S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-3-yl]azanium

Systemtic Name: [(2S,3S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-3-yl]azanium Openeye Name: [(1S,2S)-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-1-ethyl-propyl]ammonium CAS Name: [(2S,3S)-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]pentan-3-yl]ammonium IUPAC Name: [(2S,3S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-3-yl]azanium Traditional Name: [(1S,2S)-2-(2,2-dimethylcoumaran-7-yl)oxy-1-ethyl-propyl]ammonium Formula: C15H24NO2+ MolecularWeight: 250.35656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)OC1=CC=CC2=C1OC(C2)(C)C)[NH3+]

Isomeric SMILES

CC[C@@H]([C@H](C)OC1=CC=CC2=C1OC(C2)(C)C)[NH3+]

InChI

InChI=1S/C15H23NO2/c1-5-12(16)10(2)17-13-8-6-7-11-9-15(3,4)18-14(11)13/h6-8,10,12H,5,9,16H2,1-4H3/p+1/t10-,12-/m0/s1