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

Systemtic Name: N-methyl-N'-[2-[4-(3-nitrophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]ethanediamide Openeye Name: N-methyl-N'-[2-[4-(3-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N-methyl-N'-[2-[4-[(3-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]oxamide IUPAC Name: N-methyl-N'-[2-[4-(3-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide Traditional Name: N-methyl-N'-[2-[4-(3-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide Formula: C16H22N5O5+ MolecularWeight: 364.37638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O5/c1-17-14(22)15(23)18-5-6-19-7-9-20(10-8-19)16(24)12-3-2-4-13(11-12)21(25)26/h2-4,11H,5-10H2,1H3,(H,17,22)(H,18,23)/p+1