N-(4-fluorophenyl)-2-[4-[(E)-3-quinolin-2-ylprop-2-enoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-[(E)-3-quinolin-2-ylprop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[(E)-3-(2-quinolyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[(E)-1-oxo-3-(2-quinolinyl)prop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[(E)-3-quinolin-2-ylprop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[(E)-3-(2-quinolyl)acryloyl]piperazin-1-ium-1-yl]acetamide Formula: C24H24FN4O2+ MolecularWeight: 419.471363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)C=CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H23FN4O2/c25-19-6-9-21(10-7-19)27-23(30)17-28-13-15-29(16-14-28)24(31)12-11-20-8-5-18-3-1-2-4-22(18)26-20/h1-12H,13-17H2,(H,27,30)/p+1/b12-11+