(2Z)-2-(1-butyl-1,2-dimethyl-pyridin-1-ium-4-ylidene)-2-cyano-ethanoic acid

Systemtic Name: (2Z)-2-(1-butyl-1,2-dimethyl-pyridin-1-ium-4-ylidene)-2-cyano-ethanoic acid Openeye Name: (2Z)-2-(1-butyl-1,2-dimethyl-pyridin-1-ium-4-ylidene)-2-cyano-acetic acid CAS Name: (2Z)-2-(1-butyl-1,2-dimethyl-4-pyridin-1-iumylidene)-2-cyanoacetic acid IUPAC Name: (2Z)-2-(1-butyl-1,2-dimethylpyridin-1-ium-4-ylidene)-2-cyanoacetic acid Traditional Name: (2Z)-2-(1-butyl-1,2-dimethyl-pyridin-1-ium-4-ylidene)-2-cyano-acetic acid Formula: C14H19N2O2+ MolecularWeight: 247.31286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=CC(=C(C#N)C(=O)O)C=C1C)C

Isomeric SMILES

CCCC[N+]1(C=C/C(=C(\C#N)/C(=O)O)/C=C1C)C

InChI

InChI=1S/C14H18N2O2/c1-4-5-7-16(3)8-6-12(9-11(16)2)13(10-15)14(17)18/h6,8-9H,4-5,7H2,1-3H3/p+1/b13-12-