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

Systemtic Name: 3-fluoranyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-fluoro-4-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-fluoro-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-fluoro-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzonitrile Formula: C14H18FN2+ MolecularWeight: 233.304523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17FN2/c1-11-4-2-3-7-17(11)10-13-6-5-12(9-16)8-14(13)15/h5-6,8,11H,2-4,7,10H2,1H3/p+1/t11-/m0/s1