2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(4,6-dimethoxypyrimidin-2-yl)ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(4,6-dimethoxypyrimidin-2-yl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(4,6-dimethoxypyrimidin-2-yl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(4,6-dimethoxypyrimidin-2-yl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]-N-(4,6-dimethoxypyrimidin-2-yl)acetamide Formula: C20H25N6O3+ MolecularWeight: 397.4509

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C20H24N6O3/c1-28-18-11-19(29-2)24-20(23-18)22-17(27)14-26-9-7-25(8-10-26)13-16-5-3-15(12-21)4-6-16/h3-6,11H,7-10,13-14H2,1-2H3,(H,22,23,24,27)/p+1