(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethanenitrile

Systemtic Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethanenitrile Openeye Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-pyridyl)acetonitrile CAS Name: (2S)-2-(4-methyl-1-piperazin-4-iumyl)-2-(3-pyridinyl)acetonitrile IUPAC Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylacetonitrile Traditional Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-pyridyl)acetonitrile Formula: C12H17N4+ MolecularWeight: 217.29018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4/c1-15-5-7-16(8-6-15)12(9-13)11-3-2-4-14-10-11/h2-4,10,12H,5-8H2,1H3/p+1/t12-/m1/s1