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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[1-(thian-4-yl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)propanamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[1-(4-thianyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[1-(thian-4-yl)piperidin-1-ium-4-yl]propanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)propionamide Formula: C19H27ClFN2OS+ MolecularWeight: 385.946883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NC2=CC(=C(C=C2)F)Cl)C3CCSCC3

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NC2=CC(=C(C=C2)F)Cl)C3CCSCC3

InChI

InChI=1S/C19H26ClFN2OS/c20-17-13-15(2-3-18(17)21)22-19(24)4-1-14-5-9-23(10-6-14)16-7-11-25-12-8-16/h2-3,13-14,16H,1,4-12H2,(H,22,24)/p+1