3-[(3R)-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]-N-(2-fluorophenyl)propanamide

Systemtic Name: 3-[(3R)-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]-N-(2-fluorophenyl)propanamide Openeye Name: 3-[(3R)-1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-3-yl]-N-(2-fluorophenyl)propanamide CAS Name: 3-[(3R)-1-[(5-acetyl-3-thiophenyl)methyl]-3-piperidin-1-iumyl]-N-(2-fluorophenyl)propanamide IUPAC Name: 3-[(3R)-1-[(5-acetylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]-N-(2-fluorophenyl)propanamide Traditional Name: 3-[(3R)-1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-3-yl]-N-(2-fluorophenyl)propionamide Formula: C21H26FN2O2S+ MolecularWeight: 389.506743

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCCC(C2)CCC(=O)NC3=CC=CC=C3F

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC[C@@H](C2)CCC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C21H25FN2O2S/c1-15(25)20-11-17(14-27-20)13-24-10-4-5-16(12-24)8-9-21(26)23-19-7-3-2-6-18(19)22/h2-3,6-7,11,14,16H,4-5,8-10,12-13H2,1H3,(H,23,26)/p+1/t16-/m1/s1