(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanenitrile

Systemtic Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanenitrile Openeye Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-[2-(trifluoromethyl)phenyl]acetonitrile CAS Name: (2S)-2-(4-methyl-1-piperazin-4-iumyl)-2-[2-(trifluoromethyl)phenyl]acetonitrile IUPAC Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-[2-(trifluoromethyl)phenyl]acetonitrile Traditional Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-[2-(trifluoromethyl)phenyl]acetonitrile Formula: C14H17F3N3+ MolecularWeight: 284.30009

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C#N)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](C#N)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C14H16F3N3/c1-19-6-8-20(9-7-19)13(10-18)11-4-2-3-5-12(11)14(15,16)17/h2-5,13H,6-9H2,1H3/p+1/t13-/m1/s1