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

Systemtic Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C21H24FN4O+ MolecularWeight: 367.439863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN4O/c22-18-7-9-19(10-8-18)25-15-13-24(14-16-25)17-21(27)26(12-4-11-23)20-5-2-1-3-6-20/h1-3,5-10H,4,12-17H2/p+1