(3-fluoranyl-4-methoxy-phenyl)-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-fluoro-4-methoxy-phenyl)-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (3-fluoro-4-methoxyphenyl)-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3-fluoro-4-methoxyphenyl)-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-fluoro-4-methoxy-phenyl)-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]methanone Formula: C19H22FN2O2+ MolecularWeight: 329.388583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC=CC=N3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=CC=N3)F

InChI

InChI=1S/C19H21FN2O2/c1-24-18-8-7-14(11-17(18)20)19(23)15-5-4-10-22(12-15)13-16-6-2-3-9-21-16/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3/p+1/t15-/m0/s1