N-(2,6-dimethylphenyl)-2-[4-[5-(4-nitrophenyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[5-(4-nitrophenyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[5-(4-nitrophenyl)furan-2-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[5-(4-nitrophenyl)-2-furanyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[5-(4-nitrophenyl)furan-2-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[5-(4-nitrophenyl)-2-furoyl]piperazin-1-ium-1-yl]acetamide Formula: C25H27N4O5+ MolecularWeight: 463.50568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O5/c1-17-4-3-5-18(2)24(17)26-23(30)16-27-12-14-28(15-13-27)25(31)22-11-10-21(34-22)19-6-8-20(9-7-19)29(32)33/h3-11H,12-16H2,1-2H3,(H,26,30)/p+1