2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(3-chloro-4-fluoro-phenyl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-[(3-chloro-4-fluorophenyl)thio]-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thio]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C19H21ClFN2OS+ MolecularWeight: 379.899243

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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)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClFN2OS/c20-17-11-16(7-8-18(17)21)25-13-19(24)22-15-5-3-14(4-6-15)12-23-9-1-2-10-23/h3-8,11H,1-2,9-10,12-13H2,(H,22,24)/p+1