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

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-(2-nitrophenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(2-nitrophenoxy)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[2-(2-nitrophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-(2-nitrophenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-(2-nitrophenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H27N4O5+ MolecularWeight: 427.47358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5/c1-2-17-7-3-4-8-18(17)23-21(27)15-24-11-13-25(14-12-24)22(28)16-31-20-10-6-5-9-19(20)26(29)30/h3-10H,2,11-16H2,1H3,(H,23,27)/p+1