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

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(4-bromophenyl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-[(4-bromophenyl)thio]-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[(4-bromophenyl)thio]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C19H22BrN2OS+ MolecularWeight: 406.35978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2OS/c20-16-5-9-18(10-6-16)24-14-19(23)21-17-7-3-15(4-8-17)13-22-11-1-2-12-22/h3-10H,1-2,11-14H2,(H,21,23)/p+1