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

Systemtic Name: (2S)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2S)-2-(2-chloro-6-fluoro-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2S)-2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2S)-2-(2-chloro-6-fluorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2S)-2-(2-chloro-6-fluoro-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile Formula: C14H18ClFN3+ MolecularWeight: 282.764223

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C#N)C2=C(C=CC=C2Cl)F

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](C#N)C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C14H17ClFN3/c1-2-18-6-8-19(9-7-18)13(10-17)14-11(15)4-3-5-12(14)16/h3-5,13H,2,6-9H2,1H3/p+1/t13-/m1/s1