N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(thiazol-4-ylmethylsulfanyl)benzamide CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-(4-thiazolylmethylthio)benzamide IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-2-(thiazol-4-ylmethylthio)benzamide Formula: C23H26N3OS2+ MolecularWeight: 424.60204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC=CC=C3SCC4=CSC=N4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC=CC=C3SCC4=CSC=N4

InChI

InChI=1S/C23H25N3OS2/c27-23(21-9-3-4-10-22(21)29-16-20-15-28-17-25-20)24-13-18-7-1-2-8-19(18)14-26-11-5-6-12-26/h1-4,7-10,15,17H,5-6,11-14,16H2,(H,24,27)/p+1