[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-fluoranyl-phenyl]methylazanium

Systemtic Name: [4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-fluoranyl-phenyl]methylazanium Openeye Name: [4-[(3S,5S)-3,5-dimethyl-1-piperidyl]-3-fluoro-phenyl]methylammonium CAS Name: [4-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-3-fluorophenyl]methylammonium IUPAC Name: [4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-fluorophenyl]methylazanium Traditional Name: [4-[(3S,5S)-3,5-dimethylpiperidino]-3-fluoro-benzyl]ammonium Formula: C14H22FN2+ MolecularWeight: 237.336283

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C[NH3+])F)C

Isomeric SMILES

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

InChI

InChI=1S/C14H21FN2/c1-10-5-11(2)9-17(8-10)14-4-3-12(7-16)6-13(14)15/h3-4,6,10-11H,5,7-9,16H2,1-2H3/p+1/t10-,11-/m0/s1