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

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-[(3-phenoxyphenyl)amino]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-(3-phenoxyanilino)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-(3-phenoxyanilino)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-(3-phenoxyanilino)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-(3-phenoxyanilino)pyridin-1-ium-3,5-dicarbonitrile Formula: C21H15N6O+ MolecularWeight: 367.3834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)NC3=C(C(=C(C(=[NH+]3)N)C#N)CC#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)NC3=C(C(=C(C(=[NH+]3)N)C#N)CC#N)C#N

InChI

InChI=1S/C21H14N6O/c22-10-9-17-18(12-23)20(25)27-21(19(17)13-24)26-14-5-4-8-16(11-14)28-15-6-2-1-3-7-15/h1-8,11H,9H2,(H3,25,26,27)/p+1