[3-fluoranyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phenyl]methylazanium

Systemtic Name: [3-fluoranyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phenyl]methylazanium Openeye Name: [3-fluoro-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phenyl]methylammonium CAS Name: [3-fluoro-4-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]phenyl]methylammonium IUPAC Name: [3-fluoro-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phenyl]methylazanium Traditional Name: [3-fluoro-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzyl]ammonium Formula: C14H23FN2+2 MolecularWeight: 238.344223

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=C(C=C2)C[NH3+])F

Isomeric SMILES

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

InChI

InChI=1S/C14H21FN2/c1-11-4-2-3-7-17(11)10-13-6-5-12(9-16)8-14(13)15/h5-6,8,11H,2-4,7,9-10,16H2,1H3/p+2/t11-/m0/s1