2-(phenylmethylsulfanyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 2-(phenylmethylsulfanyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 2-benzylsulfanyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 2-(phenylmethylthio)-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 2-benzylsulfanyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: 2-(benzylthio)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)C2=CC=CC=C2SCC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)C2=CC=CC=C2SCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2OS/c24-21(22-13-8-16-23-14-6-7-15-23)19-11-4-5-12-20(19)25-17-18-9-2-1-3-10-18/h1-5,9-12H,6-8,13-17H2,(H,22,24)/p+1