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

Systemtic Name: N'-(4-ethoxyphenyl)-N-[2-[4-(3-nitrophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]ethanediamide Openeye Name: N'-(4-ethoxyphenyl)-N-[2-[4-(3-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N'-(4-ethoxyphenyl)-N-[2-[4-[(3-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]oxamide IUPAC Name: N'-(4-ethoxyphenyl)-N-[2-[4-(3-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide Traditional Name: N-[2-[4-(3-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-p-phenetyl-oxamide Formula: C23H28N5O6+ MolecularWeight: 470.49832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O6/c1-2-34-20-8-6-18(7-9-20)25-22(30)21(29)24-10-11-26-12-14-27(15-13-26)23(31)17-4-3-5-19(16-17)28(32)33/h3-9,16H,2,10-15H2,1H3,(H,24,29)(H,25,30)/p+1