(2R)-N-(2-cyano-4-fluoranyl-phenyl)-4-methyl-2-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: (2R)-N-(2-cyano-4-fluoranyl-phenyl)-4-methyl-2-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: (2R)-N-(2-cyano-4-fluoro-phenyl)-4-methyl-2-phenyl-piperazin-4-ium-1-carboxamide CAS Name: (2R)-N-(2-cyano-4-fluorophenyl)-4-methyl-2-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: (2R)-N-(2-cyano-4-fluorophenyl)-4-methyl-2-phenylpiperazin-4-ium-1-carboxamide Traditional Name: (2R)-N-(2-cyano-4-fluoro-phenyl)-4-methyl-2-phenyl-piperazin-4-ium-1-carboxamide Formula: C19H20FN4O+ MolecularWeight: 339.386703

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)F)C#N

Isomeric SMILES

C[NH+]1CCN([C@@H](C1)C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)F)C#N

InChI

InChI=1S/C19H19FN4O/c1-23-9-10-24(18(13-23)14-5-3-2-4-6-14)19(25)22-17-8-7-16(20)11-15(17)12-21/h2-8,11,18H,9-10,13H2,1H3,(H,22,25)/p+1/t18-/m0/s1