N-(3-chloranyl-4-fluoranyl-phenyl)-3-[1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: 3-[1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-4-yl]-N-(3-chloro-4-fluoro-phenyl)propanamide CAS Name: 3-[1-[(5-acetyl-3-thiophenyl)methyl]-4-piperidin-1-iumyl]-N-(3-chloro-4-fluorophenyl)propanamide IUPAC Name: 3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]-N-(3-chloro-4-fluorophenyl)propanamide Traditional Name: 3-[1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-4-yl]-N-(3-chloro-4-fluoro-phenyl)propionamide Formula: C21H25ClFN2O2S+ MolecularWeight: 423.951803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H24ClFN2O2S/c1-14(26)20-10-16(13-28-20)12-25-8-6-15(7-9-25)2-5-21(27)24-17-3-4-19(23)18(22)11-17/h3-4,10-11,13,15H,2,5-9,12H2,1H3,(H,24,27)/p+1