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

Systemtic Name: 2-azanyl-6-[4-(4-methoxyphenoxy)phenyl]pyridin-1-ium-3,4,5-tricarbonitrile Openeye Name: 2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridin-1-ium-3,4,5-tricarbonitrile CAS Name: 2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridin-1-ium-3,4,5-tricarbonitrile IUPAC Name: 2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridin-1-ium-3,4,5-tricarbonitrile Traditional Name: 2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridin-1-ium-3,4,5-tricarbonitrile Formula: C21H14N5O2+ MolecularWeight: 368.36816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=CC=C(C=C2)C3=[NH+]C(=C(C(=C3C#N)C#N)C#N)N

Isomeric SMILES

COC1=CC=C(C=C1)OC2=CC=C(C=C2)C3=[NH+]C(=C(C(=C3C#N)C#N)C#N)N

InChI

InChI=1S/C21H13N5O2/c1-27-14-6-8-16(9-7-14)28-15-4-2-13(3-5-15)20-18(11-23)17(10-22)19(12-24)21(25)26-20/h2-9H,1H3,(H2,25,26)/p+1