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

Systemtic Name: N-[2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethyl]-N'-phenyl-ethanediamide Openeye Name: N-[2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethyl]-N'-phenyl-oxamide CAS Name: N-[2-[4-[(4-nitrophenyl)methyl]-1-piperazin-4-iumyl]ethyl]-N'-phenyloxamide IUPAC Name: N-[2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethyl]-N'-phenyloxamide Traditional Name: N-[2-[4-(4-nitrobenzyl)piperazin-4-ium-1-yl]ethyl]-N'-phenyl-oxamide Formula: C21H26N5O4+ MolecularWeight: 412.46224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])CCNC(=O)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])CCNC(=O)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N5O4/c27-20(21(28)23-18-4-2-1-3-5-18)22-10-11-24-12-14-25(15-13-24)16-17-6-8-19(9-7-17)26(29)30/h1-9H,10-16H2,(H,22,27)(H,23,28)/p+1