3-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methylamino]pyrazine-2-carbonitrile

Systemtic Name: 3-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methylamino]pyrazine-2-carbonitrile Openeye Name: 3-[(3-benzyl-1H-imidazol-3-ium-2-yl)methylamino]pyrazine-2-carbonitrile CAS Name: 3-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methylamino]-2-pyrazinecarbonitrile IUPAC Name: 3-[(3-benzyl-1H-imidazol-3-ium-2-yl)methylamino]pyrazine-2-carbonitrile Traditional Name: 3-[(3-benzyl-1H-imidazol-3-ium-2-yl)methylamino]pyrazinonitrile Formula: C16H15N6+ MolecularWeight: 291.3305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6/c17-10-14-16(20-7-6-18-14)21-11-15-19-8-9-22(15)12-13-4-2-1-3-5-13/h1-9H,11-12H2,(H,20,21)/p+1