N-(3,5-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3,5-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(=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)OC

Isomeric SMILES

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

InChI

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