2-[4-(3-methyl-4-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(3-methyl-4-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-(3-methyl-4-nitro-benzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(3-methyl-4-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-(3-methyl-4-nitro-benzoyl)piperazin-1-ium-1-yl]acetamide Formula: C17H25N4O4+ MolecularWeight: 349.4048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O4/c1-12(2)18-16(22)11-19-6-8-20(9-7-19)17(23)14-4-5-15(21(24)25)13(3)10-14/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,22)/p+1