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

Systemtic Name: [(1R,2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cycloheptyl]azanium Openeye Name: [(1R,2S)-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]cycloheptyl]ammonium CAS Name: [(1R,2S)-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]cycloheptyl]ammonium IUPAC Name: [(1R,2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cycloheptyl]azanium Traditional Name: [(1R,2S)-2-(2,2-dimethylcoumaran-7-yl)oxycycloheptyl]ammonium Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OC3CCCCCC3[NH3+])C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)O[C@H]3CCCCC[C@H]3[NH3+])C

InChI

InChI=1S/C17H25NO2/c1-17(2)11-12-7-6-10-15(16(12)20-17)19-14-9-5-3-4-8-13(14)18/h6-7,10,13-14H,3-5,8-9,11,18H2,1-2H3/p+1/t13-,14+/m1/s1