N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C19H22FN6O+ MolecularWeight: 369.415983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2F)C3=NC=CC=N3

InChI

InChI=1S/C19H21FN6O/c20-16-5-1-2-6-17(16)26(10-3-7-21)18(27)15-24-11-13-25(14-12-24)19-22-8-4-9-23-19/h1-2,4-6,8-9H,3,10-15H2/p+1