2-heptan-3-yl-4-methanoyl-5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyridin-4-ium-6-carbonitrile

Systemtic Name: 2-heptan-3-yl-4-methanoyl-5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyridin-4-ium-6-carbonitrile Openeye Name: 2-(1-ethylpentyl)-4-formyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyridin-4-ium-6-carbonitrile CAS Name: 4-formyl-2-heptan-3-yl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyridin-4-ium-6-carbonitrile IUPAC Name: 4-formyl-2-heptan-3-yl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyridin-4-ium-6-carbonitrile Traditional Name: 2-(1-ethylpentyl)-4-formyl-7-keto-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyridin-4-ium-6-carbonitrile Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=N[N+]2(C(=C(C(=O)C=C2N1)C#N)C)C=O

Isomeric SMILES

CCCCC(CC)C1=N[N+]2(C(=C(C(=O)C=C2N1)C#N)C)C=O

InChI

InChI=1S/C16H20N4O2/c1-4-6-7-12(5-2)16-18-15-8-14(22)13(9-17)11(3)20(15,10-21)19-16/h8,10,12H,4-7H2,1-3H3/p+1