N-[4-[[(3S)-3-(5-fluoranyl-2-methoxy-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(3S)-3-(5-fluoranyl-2-methoxy-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[(3S)-3-(5-fluoro-2-methoxy-benzoyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[(3S)-3-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[(3S)-3-(5-fluoro-2-methoxy-benzoyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide Formula: C22H26FN2O3+ MolecularWeight: 385.451843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)C(=O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C22H25FN2O3/c1-15(26)24-19-8-5-16(6-9-19)13-25-11-3-4-17(14-25)22(27)20-12-18(23)7-10-21(20)28-2/h5-10,12,17H,3-4,11,13-14H2,1-2H3,(H,24,26)/p+1/t17-/m0/s1