2-azanyl-4-(cyanomethyl)-6-[(phenylmethyl)amino]pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-[(phenylmethyl)amino]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-(benzylamino)-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-[(phenylmethyl)amino]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(benzylamino)-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(benzylamino)-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C16H13N6+ MolecularWeight: 289.31462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=C(C(=[NH+]2)N)C#N)CC#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=C(C(=[NH+]2)N)C#N)CC#N)C#N

InChI

InChI=1S/C16H12N6/c17-7-6-12-13(8-18)15(20)22-16(14(12)9-19)21-10-11-4-2-1-3-5-11/h1-5H,6,10H2,(H3,20,21,22)/p+1