2-(1-cyano-4-methyl-5-oxidanylidene-4-propan-2-yl-imidazol-2-yl)pyridine-3-carboxylate; tetrabutylazanium

Systemtic Name: 2-(1-cyano-4-methyl-5-oxidanylidene-4-propan-2-yl-imidazol-2-yl)pyridine-3-carboxylate; tetrabutylazanium Openeye Name: 2-(1-cyano-4-isopropyl-4-methyl-5-oxo-imidazol-2-yl)pyridine-3-carboxylate; tetrabutylammonium CAS Name: 2-(1-cyano-4-methyl-5-oxo-4-propan-2-yl-2-imidazolyl)-3-pyridinecarboxylate; tetrabutylammonium IUPAC Name: 2-(1-cyano-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate; tetrabutylazanium Traditional Name: 2-(1-cyano-4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)nicotinate; tetrabutylammonium Formula: C30H49N5O3 MolecularWeight: 527.74176

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CC(C)C1(C(=O)N(C(=N1)C2=C(C=CC=N2)C(=O)[O-])C#N)C

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CC(C)C1(C(=O)N(C(=N1)C2=C(C=CC=N2)C(=O)[O-])C#N)C

InChI

InChI=1S/C16H36N.C14H14N4O3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-8(2)14(3)13(21)18(7-15)11(17-14)10-9(12(19)20)5-4-6-16-10/h5-16H2,1-4H3;4-6,8H,1-3H3,(H,19,20)/q+1;/p-1