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

Systemtic Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-fluorophenyl)ethanenitrile Openeye Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-fluorophenyl)acetonitrile CAS Name: (2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(4-fluorophenyl)acetonitrile IUPAC Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-fluorophenyl)acetonitrile Traditional Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-fluorophenyl)acetonitrile Formula: C14H19FN3+ MolecularWeight: 248.319163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18FN3/c1-2-17-7-9-18(10-8-17)14(11-16)12-3-5-13(15)6-4-12/h3-6,14H,2,7-10H2,1H3/p+1/t14-/m1/s1