2-(4-fluorophenyl)sulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-fluorophenyl)sulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(4-fluorophenyl)thio]-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-fluorophenyl)sulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(4-fluorophenyl)thio]-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C21H26FN2OS+ MolecularWeight: 373.507343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2OS/c22-19-8-10-20(11-9-19)26-16-21(25)23-14-17-4-6-18(7-5-17)15-24-12-2-1-3-13-24/h4-11H,1-3,12-16H2,(H,23,25)/p+1