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

Systemtic Name: N-(methylcarbamoyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(methylcarbamoyl)-2-[4-(6-nitro-3-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(methylcarbamoyl)-2-[4-(6-nitro-3-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(methylcarbamoyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(methylcarbamoyl)-2-[4-(6-nitro-3-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C13H19N6O4+ MolecularWeight: 323.32776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N6O4/c1-14-13(21)16-12(20)9-17-4-6-18(7-5-17)10-2-3-11(15-8-10)19(22)23/h2-3,8H,4-7,9H2,1H3,(H2,14,16,20,21)/p+1