[4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]-(3-pyridyl)methanone CAS Name: [4-(2-pyridin-1-iumylmethyl)-1-piperazin-4-iumyl]-(3-pyridinyl)methanone IUPAC Name: [4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]-(3-pyridyl)methanone Formula: C16H20N4O+2 MolecularWeight: 284.3562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=[NH+]2)C(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=[NH+]2)C(=O)C3=CN=CC=C3

InChI

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