(5-cyano-2-fluoranyl-phenyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium Openeye Name: (5-cyano-2-fluoro-phenyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]ammonium CAS Name: (5-cyano-2-fluorophenyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]ammonium IUPAC Name: (5-cyano-2-fluorophenyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium Traditional Name: (5-cyano-2-fluoro-benzyl)-[(1S,2R,3S)-2,3-dimethylcyclohexyl]ammonium Formula: C16H22FN2+ MolecularWeight: 261.357683

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)[NH2+]CC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)[NH2+]CC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C16H21FN2/c1-11-4-3-5-16(12(11)2)19-10-14-8-13(9-18)6-7-15(14)17/h6-8,11-12,16,19H,3-5,10H2,1-2H3/p+1/t11-,12+,16-/m0/s1