N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-furylmethyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-(2-furanylmethyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-furfuryl)acetamide Formula: C20H24FN4O2+ MolecularWeight: 371.428563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC#N)CC2=CC=CO2)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC#N)CC2=CC=CO2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN4O2/c21-17-4-6-18(7-5-17)24-12-10-23(11-13-24)16-20(26)25(9-2-8-22)15-19-3-1-14-27-19/h1,3-7,14H,2,9-13,15-16H2/p+1