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

Systemtic Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-2-yl-ethanenitrile Openeye Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(2-pyridyl)acetonitrile CAS Name: (2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(2-pyridinyl)acetonitrile IUPAC Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-2-ylacetonitrile Traditional Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(2-pyridyl)acetonitrile Formula: C13H19N4+ MolecularWeight: 231.31676

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C#N)C2=CC=CC=N2

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](C#N)C2=CC=CC=N2

InChI

InChI=1S/C13H18N4/c1-2-16-7-9-17(10-8-16)13(11-14)12-5-3-4-6-15-12/h3-6,13H,2,7-10H2,1H3/p+1/t13-/m1/s1