3-(4-fluorophenyl)sulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(4-fluorophenyl)sulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(4-fluorophenyl)sulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[(4-fluorophenyl)thio]-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4-fluorophenyl)sulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-[(4-fluorophenyl)thio]-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C22H28FN2OS+ MolecularWeight: 387.533923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2OS/c23-20-8-10-21(11-9-20)27-15-12-22(26)24-16-18-4-6-19(7-5-18)17-25-13-2-1-3-14-25/h4-11H,1-3,12-17H2,(H,24,26)/p+1