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

Systemtic Name: [4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-3-fluoranyl-phenyl]methylazanium Openeye Name: [4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-3-fluoro-phenyl]methylammonium CAS Name: [4-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-3-fluorophenyl]methylammonium IUPAC Name: [4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-3-fluorophenyl]methylazanium Traditional Name: [4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-3-fluoro-benzyl]ammonium Formula: C15H25FN2+2 MolecularWeight: 252.370803

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=C(C=C(C=C2)C[NH3+])F)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC2=C(C=C(C=C2)C[NH3+])F)C

InChI

InChI=1S/C15H23FN2/c1-11-5-12(2)9-18(8-11)10-14-4-3-13(7-17)6-15(14)16/h3-4,6,11-12H,5,7-10,17H2,1-2H3/p+2/t11-,12-/m0/s1