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

Systemtic Name: N-(4-fluorophenyl)-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[(E)-3-(3-thienyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[(E)-1-oxo-3-(3-thiophenyl)prop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[(E)-3-(3-thienyl)acryloyl]piperazin-1-ium-1-yl]acetamide Formula: C19H21FN3O2S+ MolecularWeight: 374.452343

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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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O2S/c20-16-2-4-17(5-3-16)21-18(24)13-22-8-10-23(11-9-22)19(25)6-1-15-7-12-26-14-15/h1-7,12,14H,8-11,13H2,(H,21,24)/p+1/b6-1+