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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

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

InChI

InChI=1S/C14H17FN2/c1-11-3-2-6-17(9-11)10-13-7-12(8-16)4-5-14(13)15/h4-5,7,11H,2-3,6,9-10H2,1H3/p+1/t11-/m0/s1