3-bromanyl-5-chloranyl-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide

Systemtic Name: 3-bromanyl-5-chloranyl-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide Openeye Name: 3-bromo-5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide CAS Name: 3-bromo-5-chloro-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzenecarbothioamide IUPAC Name: 3-bromo-5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide Traditional Name: 3-bromo-5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)thiobenzamide Formula: C13H17BrClN2OS+ MolecularWeight: 364.70888

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=C(C=C(C=C2C(=S)N)Cl)Br

Isomeric SMILES

C1CC[NH+](C1)CCOC2=C(C=C(C=C2C(=S)N)Cl)Br

InChI

InChI=1S/C13H16BrClN2OS/c14-11-8-9(15)7-10(13(16)19)12(11)18-6-5-17-3-1-2-4-17/h7-8H,1-6H2,(H2,16,19)/p+1