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

Systemtic Name: 3-(4-fluorophenyl)sulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(4-fluorophenyl)sulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[(4-fluorophenyl)thio]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4-fluorophenyl)sulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-[(4-fluorophenyl)thio]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C21H26FN2OS+ MolecularWeight: 373.507343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2OS/c22-19-7-9-20(10-8-19)26-14-11-21(25)23-15-17-3-5-18(6-4-17)16-24-12-1-2-13-24/h3-10H,1-2,11-16H2,(H,23,25)/p+1