N-cyclopropyl-2-[4-[2-(4-fluorophenyl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[2-(4-fluorophenyl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[[2-(4-fluorophenyl)-4-quinolinyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C25H26FN4O2+ MolecularWeight: 433.497943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H25FN4O2/c26-18-7-5-17(6-8-18)23-15-21(20-3-1-2-4-22(20)28-23)25(32)30-13-11-29(12-14-30)16-24(31)27-19-9-10-19/h1-8,15,19H,9-14,16H2,(H,27,31)/p+1