N-[2-[4-(3-nitrophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-propan-2-yl-ethanediamide

Systemtic Name: N-[2-[4-(3-nitrophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-propan-2-yl-ethanediamide Openeye Name: N'-isopropyl-N-[2-[4-(3-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N-[2-[4-[(3-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-N'-propan-2-yloxamide IUPAC Name: N-[2-[4-(3-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide Traditional Name: N'-isopropyl-N-[2-[4-(3-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide Formula: C18H26N5O5+ MolecularWeight: 392.42954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O5/c1-13(2)20-17(25)16(24)19-6-7-21-8-10-22(11-9-21)18(26)14-4-3-5-15(12-14)23(27)28/h3-5,12-13H,6-11H2,1-2H3,(H,19,24)(H,20,25)/p+1