(2S)-2-piperazin-4-ium-1-yl-2-pyridin-2-yl-propanenitrile

Systemtic Name: (2S)-2-piperazin-4-ium-1-yl-2-pyridin-2-yl-propanenitrile Openeye Name: (2S)-2-piperazin-4-ium-1-yl-2-(2-pyridyl)propanenitrile CAS Name: (2S)-2-(1-piperazin-4-iumyl)-2-(2-pyridinyl)propanenitrile IUPAC Name: (2S)-2-piperazin-4-ium-1-yl-2-pyridin-2-ylpropanenitrile Traditional Name: (2S)-2-piperazin-4-ium-1-yl-2-(2-pyridyl)propionitrile Formula: C12H17N4+ MolecularWeight: 217.29018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=CC=CC=N1)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@](C#N)(C1=CC=CC=N1)N2CC[NH2+]CC2

InChI

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