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

Systemtic Name: [4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]-(4-pyridyl)methanone CAS Name: [4-(4-pyridin-1-iumylmethyl)-1-piperazin-4-iumyl]-pyridin-4-ylmethanone IUPAC Name: [4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]-(4-pyridyl)methanone Formula: C16H20N4O+2 MolecularWeight: 284.3562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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