(2S)-2-(2-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanenitrile

Systemtic Name: (2S)-2-(2-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2S)-2-(2-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2S)-2-(2-fluorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2S)-2-(2-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2S)-2-(2-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Formula: C13H17FN3+ MolecularWeight: 234.292583

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C#N)C2=CC=CC=C2F

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](C#N)C2=CC=CC=C2F

InChI

InChI=1S/C13H16FN3/c1-16-6-8-17(9-7-16)13(10-15)11-4-2-3-5-12(11)14/h2-5,13H,6-9H2,1H3/p+1/t13-/m1/s1