(2S)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanenitrile

Systemtic Name: (2S)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanenitrile Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(2-chloro-6-fluoro-phenyl)acetonitrile CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-2-(2-chloro-6-fluorophenyl)acetonitrile IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(2-chloro-6-fluorophenyl)acetonitrile Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(2-chloro-6-fluoro-phenyl)acetonitrile Formula: C14H16ClFN3O+ MolecularWeight: 296.747743

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)C(C#N)C2=C(C=CC=C2Cl)F

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)[C@H](C#N)C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C14H15ClFN3O/c1-10(20)18-5-7-19(8-6-18)13(9-17)14-11(15)3-2-4-12(14)16/h2-4,13H,5-8H2,1H3/p+1/t13-/m1/s1