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

Systemtic Name: 5-bromanyl-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide Openeye Name: 5-bromo-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide CAS Name: 5-bromo-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzenecarbothioamide IUPAC Name: 5-bromo-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide Traditional Name: 5-bromo-2-(2-pyrrolidin-1-ium-1-ylethoxy)thiobenzamide Formula: C13H18BrN2OS+ MolecularWeight: 330.26382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=C(C=C(C=C2)Br)C(=S)N

Isomeric SMILES

C1CC[NH+](C1)CCOC2=C(C=C(C=C2)Br)C(=S)N

InChI

InChI=1S/C13H17BrN2OS/c14-10-3-4-12(11(9-10)13(15)18)17-8-7-16-5-1-2-6-16/h3-4,9H,1-2,5-8H2,(H2,15,18)/p+1