N-(2-ethylphenyl)-2-[4-[2-(4-nitrophenyl)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-(4-nitrophenyl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(4-nitrophenyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[2-(4-nitrophenyl)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-(4-nitrophenyl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-(4-nitrophenyl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c1-2-18-5-3-4-6-20(18)23-21(27)16-24-11-13-25(14-12-24)22(28)15-17-7-9-19(10-8-17)26(29)30/h3-10H,2,11-16H2,1H3,(H,23,27)/p+1