N-(2,5-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C18H24N5O3+ MolecularWeight: 358.41486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H23N5O3/c1-25-14-4-5-16(26-2)15(12-14)21-17(24)13-22-8-10-23(11-9-22)18-19-6-3-7-20-18/h3-7,12H,8-11,13H2,1-2H3,(H,21,24)/p+1