N-(2-cyanoethyl)-2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C17H22FN4O2+ MolecularWeight: 333.380583

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2F

Isomeric SMILES

CN(CCC#N)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2F

InChI

InChI=1S/C17H21FN4O2/c1-20(8-4-7-19)16(23)13-21-9-11-22(12-10-21)17(24)14-5-2-3-6-15(14)18/h2-3,5-6H,4,8-13H2,1H3/p+1