2-azanyl-6-[4-(4-tert-butylphenoxy)phenyl]pyridin-1-ium-3,4,5-tricarbonitrile

Systemtic Name: 2-azanyl-6-[4-(4-tert-butylphenoxy)phenyl]pyridin-1-ium-3,4,5-tricarbonitrile Openeye Name: 2-amino-6-[4-(4-tert-butylphenoxy)phenyl]pyridin-1-ium-3,4,5-tricarbonitrile CAS Name: 2-amino-6-[4-(4-tert-butylphenoxy)phenyl]pyridin-1-ium-3,4,5-tricarbonitrile IUPAC Name: 2-amino-6-[4-(4-tert-butylphenoxy)phenyl]pyridin-1-ium-3,4,5-tricarbonitrile Traditional Name: 2-amino-6-[4-(4-tert-butylphenoxy)phenyl]pyridin-1-ium-3,4,5-tricarbonitrile Formula: C24H20N5O+ MolecularWeight: 394.4485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=[NH+]C(=C(C(=C3C#N)C#N)C#N)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=[NH+]C(=C(C(=C3C#N)C#N)C#N)N

InChI

InChI=1S/C24H19N5O/c1-24(2,3)16-6-10-18(11-7-16)30-17-8-4-15(5-9-17)22-20(13-26)19(12-25)21(14-27)23(28)29-22/h4-11H,1-3H3,(H2,28,29)/p+1