N-(4-chloranyl-3-nitro-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C16H18ClN6O3+ MolecularWeight: 377.80552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C16H17ClN6O3/c17-13-3-2-12(10-14(13)23(25)26)20-15(24)11-21-6-8-22(9-7-21)16-18-4-1-5-19-16/h1-5,10H,6-9,11H2,(H,20,24)/p+1