2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(prop-2-enylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-cyano-3-fluorophenyl)-1-piperazin-1-iumyl]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-[4-(2-cyano-3-fluorophenyl)piperazin-1-ium-1-yl]-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-ium-1-yl]acetamide Formula: C17H21FN5O2+ MolecularWeight: 346.379343

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)C[NH+]1CCN(CC1)C2=C(C(=CC=C2)F)C#N

Isomeric SMILES

C=CCNC(=O)NC(=O)C[NH+]1CCN(CC1)C2=C(C(=CC=C2)F)C#N

InChI

InChI=1S/C17H20FN5O2/c1-2-6-20-17(25)21-16(24)12-22-7-9-23(10-8-22)15-5-3-4-14(18)13(15)11-19/h2-5H,1,6-10,12H2,(H2,20,21,24,25)/p+1