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

Systemtic Name: N-(3-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[(E)-3-phenylacryloyl]piperazin-1-ium-1-yl]acetamide Formula: C21H23FN3O2+ MolecularWeight: 368.424623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O2/c22-18-7-4-8-19(15-18)23-20(26)16-24-11-13-25(14-12-24)21(27)10-9-17-5-2-1-3-6-17/h1-10,15H,11-14,16H2,(H,23,26)/p+1/b10-9+