(2R)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanenitrile

Systemtic Name: (2R)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanenitrile Openeye Name: (2R)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanenitrile CAS Name: (2R)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanenitrile IUPAC Name: (2R)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanenitrile Traditional Name: (2R)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionitrile Formula: C11H16N5+ MolecularWeight: 218.27824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N5/c1-10(9-12)15-5-7-16(8-6-15)11-13-3-2-4-14-11/h2-4,10H,5-8H2,1H3/p+1/t10-/m1/s1