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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN2OS/c21-18-7-9-19(10-8-18)25-15-20(24)22-13-16-3-5-17(6-4-16)14-23-11-1-2-12-23/h3-10H,1-2,11-15H2,(H,22,24)/p+1