[(1S,2S,4S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4-ethyl-cyclohexyl]azanium

Systemtic Name: [(1S,2S,4S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4-ethyl-cyclohexyl]azanium Openeye Name: [(1S,2S,4S)-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-4-ethyl-cyclohexyl]ammonium CAS Name: [(1S,2S,4S)-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-4-ethylcyclohexyl]ammonium IUPAC Name: [(1S,2S,4S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4-ethylcyclohexyl]azanium Traditional Name: [(1S,2S,4S)-2-(2,2-dimethylcoumaran-7-yl)oxy-4-ethyl-cyclohexyl]ammonium Formula: C18H28NO2+ MolecularWeight: 290.42042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(C(C1)OC2=CC=CC3=C2OC(C3)(C)C)[NH3+]

Isomeric SMILES

CC[C@H]1CC[C@@H]([C@H](C1)OC2=CC=CC3=C2OC(C3)(C)C)[NH3+]

InChI

InChI=1S/C18H27NO2/c1-4-12-8-9-14(19)16(10-12)20-15-7-5-6-13-11-18(2,3)21-17(13)15/h5-7,12,14,16H,4,8-11,19H2,1-3H3/p+1/t12-,14-,16-/m0/s1