1-[4-[[(3S)-3-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[[(3S)-3-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[(3S)-3-(3-fluoro-4-methoxy-benzoyl)piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[(3S)-3-[(3-fluoro-4-methoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[(3S)-3-(3-fluoro-4-methoxy-benzoyl)piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone Formula: C20H23FNO3S+ MolecularWeight: 376.464923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCCC(C2)C(=O)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C20H22FNO3S/c1-13(23)19-8-14(12-26-19)10-22-7-3-4-16(11-22)20(24)15-5-6-18(25-2)17(21)9-15/h5-6,8-9,12,16H,3-4,7,10-11H2,1-2H3/p+1/t16-/m0/s1