N-(4,6-dimethoxypyrimidin-2-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4,6-dimethoxypyrimidin-2-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4,6-dimethoxypyrimidin-2-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4,6-dimethoxy-2-pyrimidinyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4,6-dimethoxypyrimidin-2-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4,6-dimethoxypyrimidin-2-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C17H23N6O3+ MolecularWeight: 359.40292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=N3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=N3)OC

InChI

InChI=1S/C17H22N6O3/c1-25-15-11-16(26-2)21-17(20-15)19-14(24)12-22-7-9-23(10-8-22)13-5-3-4-6-18-13/h3-6,11H,7-10,12H2,1-2H3,(H,19,20,21,24)/p+1