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

Systemtic Name: 2-phenylsulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-phenylsulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(phenylthio)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-phenylsulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(phenylthio)-N-[4-(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=C(C=C2)CNC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CSC3=CC=CC=C3

InChI

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