(5-bromanylpyridin-3-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C15H17BrN3OS+ MolecularWeight: 367.28398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C15H16BrN3OS/c16-13-8-12(9-17-10-13)15(20)19-5-3-18(4-6-19)11-14-2-1-7-21-14/h1-2,7-10H,3-6,11H2/p+1