N-(2,4-dinitrophenyl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(2,4-dinitrophenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(2,4-dinitrophenyl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(2,4-dinitrophenyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(2,4-dinitrophenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(2,4-dinitrophenyl)-2-piperidin-1-ium-1-yl-acetamide Formula: C13H17N4O5+ MolecularWeight: 309.29788

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O5/c18-13(9-15-6-2-1-3-7-15)14-11-5-4-10(16(19)20)8-12(11)17(21)22/h4-5,8H,1-3,6-7,9H2,(H,14,18)/p+1