5-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbonitrile

Systemtic Name: 5-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbonitrile Openeye Name: 5-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbonitrile CAS Name: 5-phenyl-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 5-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbonitrile Traditional Name: 5-phenyl-2-(4-pyridin-1-ium-2-ylpiperazino)nicotinonitrile Formula: C21H20N5+ MolecularWeight: 342.417

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC=C(C=C3C#N)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC=C(C=C3C#N)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5/c22-15-18-14-19(17-6-2-1-3-7-17)16-24-21(18)26-12-10-25(11-13-26)20-8-4-5-9-23-20/h1-9,14,16H,10-13H2/p+1