(2R,3S)-4,4-dicyano-3-(2-fluorophenyl)-2-pyridin-1-ium-1-yl-butanamide

Systemtic Name: (2R,3S)-4,4-dicyano-3-(2-fluorophenyl)-2-pyridin-1-ium-1-yl-butanamide Openeye Name: (2R,3S)-4,4-dicyano-3-(2-fluorophenyl)-2-pyridin-1-ium-1-yl-butanamide CAS Name: (2R,3S)-4,4-dicyano-3-(2-fluorophenyl)-2-(1-pyridin-1-iumyl)butanamide IUPAC Name: (2R,3S)-4,4-dicyano-3-(2-fluorophenyl)-2-pyridin-1-ium-1-ylbutanamide Traditional Name: (2R,3S)-4,4-dicyano-3-(2-fluorophenyl)-2-pyridin-1-ium-1-yl-butyramide Formula: C17H14FN4O+ MolecularWeight: 309.317663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(C(C2=CC=CC=C2F)C(C#N)C#N)C(=O)N

Isomeric SMILES

C1=CC=[N+](C=C1)[C@H]([C@H](C2=CC=CC=C2F)C(C#N)C#N)C(=O)N

InChI

InChI=1S/C17H13FN4O/c18-14-7-3-2-6-13(14)15(12(10-19)11-20)16(17(21)23)22-8-4-1-5-9-22/h1-9,12,15-16H,(H-,21,23)/p+1/t15-,16+/m0/s1