2-(4-bromophenyl)sulfanyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ethanamide

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ethanamide Openeye Name: 2-(4-bromophenyl)sulfanyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]acetamide CAS Name: 2-[(4-bromophenyl)thio]-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide Traditional Name: 2-[(4-bromophenyl)thio]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]acetamide Formula: C20H24BrN2OS+ MolecularWeight: 420.38636

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CSC2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CSC2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C20H23BrN2OS/c21-17-8-10-18(11-9-17)25-15-20(24)22-14-19(23-12-4-5-13-23)16-6-2-1-3-7-16/h1-3,6-11,19H,4-5,12-15H2,(H,22,24)/p+1/t19-/m0/s1