[3-fluoranyl-4-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-phenyl]methylazanium

Systemtic Name: [3-fluoranyl-4-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-phenyl]methylazanium Openeye Name: [3-fluoro-4-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]phenyl]methylammonium CAS Name: [3-fluoro-4-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyphenyl]methylammonium IUPAC Name: [3-fluoro-4-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyphenyl]methylazanium Traditional Name: [3-fluoro-4-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]benzyl]ammonium Formula: C17H27FNO+ MolecularWeight: 280.400783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2=C(C=C(C=C2)C[NH3+])F)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC2=C(C=C(C=C2)C[NH3+])F)C(C)C

InChI

InChI=1S/C17H26FNO/c1-11(2)14-6-4-12(3)8-17(14)20-16-7-5-13(10-19)9-15(16)18/h5,7,9,11-12,14,17H,4,6,8,10,19H2,1-3H3/p+1/t12-,14+,17-/m0/s1