2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]acetonitrile CAS Name: 2-[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]acetonitrile IUPAC Name: 2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]acetonitrile Traditional Name: 2-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]acetonitrile Formula: C12H16N3+ MolecularWeight: 202.27554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CN=CC=C2)CC#N

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=CN=CC=C2)CC#N

InChI

InChI=1S/C12H15N3/c13-6-9-15-8-2-1-5-12(15)11-4-3-7-14-10-11/h3-4,7,10,12H,1-2,5,8-9H2/p+1/t12-/m0/s1