N-(2-ethylphenyl)-2-[4-[2-(5-methyl-2-nitro-phenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-(5-methyl-2-nitro-phenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(5-methyl-2-nitro-phenoxy)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[2-(5-methyl-2-nitrophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-(5-methyl-2-nitrophenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-(5-methyl-2-nitro-phenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C23H29N4O5+ MolecularWeight: 441.50016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=C(C=CC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=C(C=CC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5/c1-3-18-6-4-5-7-19(18)24-22(28)15-25-10-12-26(13-11-25)23(29)16-32-21-14-17(2)8-9-20(21)27(30)31/h4-9,14H,3,10-13,15-16H2,1-2H3,(H,24,28)/p+1