(5-bromanylpyridin-3-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (5-bromo-3-pyridyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: (5-bromo-3-pyridinyl)-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (5-bromopyridin-3-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (5-bromo-3-pyridyl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C15H16BrN4O+ MolecularWeight: 348.21774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C15H15BrN4O/c16-13-9-12(10-18-11-13)15(21)20-7-5-19(6-8-20)14-1-3-17-4-2-14/h1-4,9-11H,5-8H2/p+1