3-[[(3R)-1-pyridin-1-ium-2-ylpiperidin-3-yl]methylamino]pyrazine-2-carbonitrile

Systemtic Name: 3-[[(3R)-1-pyridin-1-ium-2-ylpiperidin-3-yl]methylamino]pyrazine-2-carbonitrile Openeye Name: 3-[[(3R)-1-pyridin-1-ium-2-yl-3-piperidyl]methylamino]pyrazine-2-carbonitrile CAS Name: 3-[[(3R)-1-(2-pyridin-1-iumyl)-3-piperidinyl]methylamino]-2-pyrazinecarbonitrile IUPAC Name: 3-[[(3R)-1-pyridin-1-ium-2-ylpiperidin-3-yl]methylamino]pyrazine-2-carbonitrile Traditional Name: 3-[[(3R)-1-pyridin-1-ium-2-yl-3-piperidyl]methylamino]pyrazinonitrile Formula: C16H19N6+ MolecularWeight: 295.36226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=CC=[NH+]2)CNC3=NC=CN=C3C#N

Isomeric SMILES

C1C[C@@H](CN(C1)C2=CC=CC=[NH+]2)CNC3=NC=CN=C3C#N

InChI

InChI=1S/C16H18N6/c17-10-14-16(20-8-7-18-14)21-11-13-4-3-9-22(12-13)15-5-1-2-6-19-15/h1-2,5-8,13H,3-4,9,11-12H2,(H,20,21)/p+1/t13-/m1/s1