pyridin-3-yl-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: pyridin-3-yl-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: 3-pyridyl-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 3-pyridinyl-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: pyridin-3-yl-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: 3-pyridyl-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C16H19N4O+ MolecularWeight: 283.34826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C16H18N4O/c21-16(15-2-1-5-18-12-15)20-10-8-19(9-11-20)13-14-3-6-17-7-4-14/h1-7,12H,8-11,13H2/p+1