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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=C(C=C2)C[NH3+])F

Isomeric SMILES

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

InChI

InChI=1S/C14H21FN2/c1-11-3-2-6-17(9-11)10-13-5-4-12(8-16)7-14(13)15/h4-5,7,11H,2-3,6,8-10,16H2,1H3/p+2/t11-/m0/s1