N-(ethylcarbamoyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(ethylcarbamoyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(ethylcarbamoyl)-2-[4-(6-nitro-3-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(ethylcarbamoyl)-2-[4-(6-nitro-3-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(ethylcarbamoyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(ethylcarbamoyl)-2-[4-(6-nitro-3-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C14H21N6O4+ MolecularWeight: 337.35434

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N6O4/c1-2-15-14(22)17-13(21)10-18-5-7-19(8-6-18)11-3-4-12(16-9-11)20(23)24/h3-4,9H,2,5-8,10H2,1H3,(H2,15,17,21,22)/p+1