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

Systemtic Name: N-[2-[4-(3-nitrophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-phenyl-ethanediamide Openeye Name: N-[2-[4-(3-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-phenyl-oxamide CAS Name: N-[2-[4-[(3-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-N'-phenyloxamide IUPAC Name: N-[2-[4-(3-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-phenyloxamide Traditional Name: N-[2-[4-(3-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-phenyl-oxamide Formula: C21H24N5O5+ MolecularWeight: 426.44576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C(=O)NC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C(=O)NC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5/c27-19(20(28)23-17-6-2-1-3-7-17)22-9-10-24-11-13-25(14-12-24)21(29)16-5-4-8-18(15-16)26(30)31/h1-8,15H,9-14H2,(H,22,27)(H,23,28)/p+1