N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(2-thienylmethylsulfanyl)benzamide CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-(thiophen-2-ylmethylthio)benzamide IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-2-(2-thenylthio)benzamide Formula: C24H27N2OS2+ MolecularWeight: 423.61398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC=CC=C3SCC4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC=CC=C3SCC4=CC=CS4

InChI

InChI=1S/C24H26N2OS2/c27-24(22-11-3-4-12-23(22)29-18-21-10-7-15-28-21)25-16-19-8-1-2-9-20(19)17-26-13-5-6-14-26/h1-4,7-12,15H,5-6,13-14,16-18H2,(H,25,27)/p+1