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

Systemtic Name: 2-(phenylmethylsulfanyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-benzylsulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-(phenylmethylthio)-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-benzylsulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-(benzylthio)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CSCC3=CC=CC=C3

InChI

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