2-[4-(2-methanoyl-4-nitro-phenyl)piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(2-methanoyl-4-nitro-phenyl)piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(2-formyl-4-nitro-phenyl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-(2-formyl-4-nitrophenyl)-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(2-formyl-4-nitrophenyl)piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-(2-formyl-4-nitro-phenyl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C16H23N4O4+ MolecularWeight: 335.37822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4/c1-12(2)17-16(22)10-18-5-7-19(8-6-18)15-4-3-14(20(23)24)9-13(15)11-21/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,17,22)/p+1