2-naphthalen-2-ylsulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-naphthalen-2-ylsulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(2-naphthylsulfanyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(2-naphthalenylthio)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-naphthalen-2-ylsulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(2-naphthylthio)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C24H27N2OS+ MolecularWeight: 391.54898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H26N2OS/c27-24(18-28-23-12-11-19-7-1-2-8-20(19)15-23)25-16-21-9-3-4-10-22(21)17-26-13-5-6-14-26/h1-4,7-12,15H,5-6,13-14,16-18H2,(H,25,27)/p+1