N-(2-methoxy-4-nitro-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C17H21N6O4+ MolecularWeight: 373.38644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O4/c1-27-15-11-13(23(25)26)3-4-14(15)20-16(24)12-21-7-9-22(10-8-21)17-18-5-2-6-19-17/h2-6,11H,7-10,12H2,1H3,(H,20,24)/p+1