5-bromanyl-3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)benzenecarbothioamide

Systemtic Name: 5-bromanyl-3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)benzenecarbothioamide Openeye Name: 5-bromo-3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)benzenecarbothioamide CAS Name: 5-bromo-3-methoxy-2-[2-(1-piperidin-1-iumyl)ethoxy]benzenecarbothioamide IUPAC Name: 5-bromo-3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)benzenecarbothioamide Traditional Name: 5-bromo-3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)thiobenzamide Formula: C15H22BrN2O2S+ MolecularWeight: 374.31638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C(=S)N)OCC[NH+]2CCCCC2

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C(=S)N)OCC[NH+]2CCCCC2

InChI

InChI=1S/C15H21BrN2O2S/c1-19-13-10-11(16)9-12(15(17)21)14(13)20-8-7-18-5-3-2-4-6-18/h9-10H,2-8H2,1H3,(H2,17,21)/p+1