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

Systemtic Name: 2-phenylsulfanyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-phenylsulfanyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(phenylthio)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-phenylsulfanyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(phenylthio)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CSC3=CC=CC=C3

InChI

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