2-[[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]amino]pyridine-4-carbonitrile

Systemtic Name: 2-[[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]amino]pyridine-4-carbonitrile Openeye Name: 2-[[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]amino]pyridine-4-carbonitrile CAS Name: 2-[[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]amino]-4-pyridinecarbonitrile IUPAC Name: 2-[[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]amino]pyridine-4-carbonitrile Traditional Name: 2-[[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]amino]isonicotinonitrile Formula: C17H20N5+ MolecularWeight: 294.3742

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=NC=CC(=C2)C#N)CC3=CN=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC2=NC=CC(=C2)C#N)CC3=CN=CC=C3

InChI

InChI=1S/C17H19N5/c18-11-14-3-7-20-17(10-14)21-16-4-8-22(9-5-16)13-15-2-1-6-19-12-15/h1-3,6-7,10,12,16H,4-5,8-9,13H2,(H,20,21)/p+1