3-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide

Systemtic Name: 3-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide Openeye Name: 3-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide CAS Name: 3-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzenecarbothioamide IUPAC Name: 3-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide Traditional Name: 3-(2-pyrrolidin-1-ium-1-ylethoxy)thiobenzamide Formula: C13H19N2OS+ MolecularWeight: 251.36776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2OS/c14-13(17)11-4-3-5-12(10-11)16-9-8-15-6-1-2-7-15/h3-5,10H,1-2,6-9H2,(H2,14,17)/p+1