4-azanyl-2-methyl-6-oxidanyl-5-pyridin-1-ium-1-yl-benzene-1,3-dicarbonitrile

Systemtic Name: 4-azanyl-2-methyl-6-oxidanyl-5-pyridin-1-ium-1-yl-benzene-1,3-dicarbonitrile Openeye Name: 4-amino-6-hydroxy-2-methyl-5-pyridin-1-ium-1-yl-benzene-1,3-dicarbonitrile CAS Name: 4-amino-6-hydroxy-2-methyl-5-(1-pyridin-1-iumyl)benzene-1,3-dicarbonitrile IUPAC Name: 4-amino-6-hydroxy-2-methyl-5-pyridin-1-ium-1-ylbenzene-1,3-dicarbonitrile Traditional Name: 4-amino-6-hydroxy-2-methyl-5-pyridin-1-ium-1-yl-isophthalonitrile Formula: C14H11N4O+ MolecularWeight: 251.26334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C#N)O)[N+]2=CC=CC=C2)N)C#N

Isomeric SMILES

CC1=C(C(=C(C(=C1C#N)O)[N+]2=CC=CC=C2)N)C#N

InChI

InChI=1S/C14H10N4O/c1-9-10(7-15)12(17)13(14(19)11(9)8-16)18-5-3-2-4-6-18/h2-6H,17H2,1H3/p+1