2-(4-bromophenyl)sulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-bromophenyl)sulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(4-bromophenyl)thio]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(4-bromophenyl)thio]-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C20H24BrN2OS+ MolecularWeight: 420.38636

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN2OS/c21-18-7-9-19(10-8-18)25-15-20(24)22-13-16-5-1-2-6-17(16)14-23-11-3-4-12-23/h1-2,5-10H,3-4,11-15H2,(H,22,24)/p+1