1-[4-[3-[[(2,6-dimethoxypyrimidin-4-yl)amino]methyl]pyridin-1-ium-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[3-[[(2,6-dimethoxypyrimidin-4-yl)amino]methyl]pyridin-1-ium-2-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[3-[[(2,6-dimethoxypyrimidin-4-yl)amino]methyl]pyridin-1-ium-2-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[3-[[(2,6-dimethoxy-4-pyrimidinyl)amino]methyl]-2-pyridin-1-iumyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-[[(2,6-dimethoxypyrimidin-4-yl)amino]methyl]pyridin-1-ium-2-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-[[(2,6-dimethoxypyrimidin-4-yl)amino]methyl]pyridin-1-ium-2-yl]piperazino]ethanone Formula: C18H25N6O3+ MolecularWeight: 373.4295

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC3=CC(=NC(=N3)OC)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC3=CC(=NC(=N3)OC)OC

InChI

InChI=1S/C18H24N6O3/c1-13(25)23-7-9-24(10-8-23)17-14(5-4-6-19-17)12-20-15-11-16(26-2)22-18(21-15)27-3/h4-6,11H,7-10,12H2,1-3H3,(H,20,21,22)/p+1