N-(2-ethylphenyl)-2-[4-[5-(4-fluorophenyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[5-(4-fluorophenyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[5-(4-fluorophenyl)furan-2-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[[5-(4-fluorophenyl)-2-furanyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[5-(4-fluorophenyl)furan-2-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[5-(4-fluorophenyl)-2-furoyl]piperazin-1-ium-1-yl]acetamide Formula: C25H27FN3O3+ MolecularWeight: 436.498583

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(O3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(O3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H26FN3O3/c1-2-18-5-3-4-6-21(18)27-24(30)17-28-13-15-29(16-14-28)25(31)23-12-11-22(32-23)19-7-9-20(26)10-8-19/h3-12H,2,13-17H2,1H3,(H,27,30)/p+1