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

Systemtic Name: N'-(4-ethylphenyl)-N-[2-[4-(3-nitrophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]ethanediamide Openeye Name: N'-(4-ethylphenyl)-N-[2-[4-(3-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N'-(4-ethylphenyl)-N-[2-[4-[(3-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]oxamide IUPAC Name: N'-(4-ethylphenyl)-N-[2-[4-(3-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide Traditional Name: N'-(4-ethylphenyl)-N-[2-[4-(3-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide Formula: C23H28N5O5+ MolecularWeight: 454.49892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O5/c1-2-17-6-8-19(9-7-17)25-22(30)21(29)24-10-11-26-12-14-27(15-13-26)23(31)18-4-3-5-20(16-18)28(32)33/h3-9,16H,2,10-15H2,1H3,(H,24,29)(H,25,30)/p+1