2-phenylsulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-phenylsulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-phenylsulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(phenylthio)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-phenylsulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(phenylthio)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H24N2OS/c23-20(16-24-19-6-2-1-3-7-19)21-14-17-8-10-18(11-9-17)15-22-12-4-5-13-22/h1-3,6-11H,4-5,12-16H2,(H,21,23)/p+1