1-[3-[[(3S)-3-(5-fluoranyl-2-methoxy-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[3-[[(3S)-3-(5-fluoranyl-2-methoxy-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[(3S)-3-(5-fluoro-2-methoxy-benzoyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[3-[[(3S)-3-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[3-[[(3S)-3-(5-fluoro-2-methoxy-benzoyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C22H25FNO3+ MolecularWeight: 370.437203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCCC(C2)C(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24FNO3/c1-15(25)17-6-3-5-16(11-17)13-24-10-4-7-18(14-24)22(26)20-12-19(23)8-9-21(20)27-2/h3,5-6,8-9,11-12,18H,4,7,10,13-14H2,1-2H3/p+1/t18-/m0/s1