2-(4-oxidanyl-4-pyridin-3-yl-piperidin-1-ium-1-yl)ethanenitrile

Systemtic Name: 2-(4-oxidanyl-4-pyridin-3-yl-piperidin-1-ium-1-yl)ethanenitrile Openeye Name: 2-[4-hydroxy-4-(3-pyridyl)piperidin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-hydroxy-4-(3-pyridinyl)-1-piperidin-1-iumyl]acetonitrile IUPAC Name: 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-ium-1-yl)acetonitrile Traditional Name: 2-[4-hydroxy-4-(3-pyridyl)piperidin-1-ium-1-yl]acetonitrile Formula: C12H16N3O+ MolecularWeight: 218.27494

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CN=CC=C2)O)CC#N

Isomeric SMILES

C1C[NH+](CCC1(C2=CN=CC=C2)O)CC#N

InChI

InChI=1S/C12H15N3O/c13-5-9-15-7-3-12(16,4-8-15)11-2-1-6-14-10-11/h1-2,6,10,16H,3-4,7-9H2/p+1