(5-fluoranyl-2-methoxy-phenyl)-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (5-fluoranyl-2-methoxy-phenyl)-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methanone Openeye Name: (5-fluoro-2-methoxy-phenyl)-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methanone CAS Name: (5-fluoro-2-methoxyphenyl)-[(3S)-1-(3-phenylprop-2-ynyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (5-fluoro-2-methoxyphenyl)-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methanone Traditional Name: (5-fluoro-2-methoxy-phenyl)-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methanone Formula: C22H23FNO2+ MolecularWeight: 352.421923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)C2CCC[NH+](C2)CC#CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)[C@H]2CCC[NH+](C2)CC#CC3=CC=CC=C3

InChI

InChI=1S/C22H22FNO2/c1-26-21-12-11-19(23)15-20(21)22(25)18-10-6-14-24(16-18)13-5-9-17-7-3-2-4-8-17/h2-4,7-8,11-12,15,18H,6,10,13-14,16H2,1H3/p+1/t18-/m0/s1