6-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-carbonitrile Openeye Name: 6-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-carbonitrile CAS Name: 6-[[2-(1-pyrazolylmethyl)phenyl]methylamino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-carbonitrile Traditional Name: 6-[[2-(pyrazol-1-ylmethyl)benzyl]amino]pyridin-1-ium-3-carbonitrile Formula: C17H16N5+ MolecularWeight: 290.34244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=[NH+]C=C(C=C2)C#N)CN3C=CC=N3

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=[NH+]C=C(C=C2)C#N)CN3C=CC=N3

InChI

InChI=1S/C17H15N5/c18-10-14-6-7-17(19-11-14)20-12-15-4-1-2-5-16(15)13-22-9-3-8-21-22/h1-9,11H,12-13H2,(H,19,20)/p+1