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

Systemtic Name: (2Z)-2-(1-butyl-1,2-dimethyl-pyridin-1-ium-4-ylidene)-2-cyano-ethanoate Openeye Name: (2Z)-2-(1-butyl-1,2-dimethyl-pyridin-1-ium-4-ylidene)-2-cyano-acetate CAS Name: (2Z)-2-(1-butyl-1,2-dimethyl-4-pyridin-1-iumylidene)-2-cyanoacetate IUPAC Name: (2Z)-2-(1-butyl-1,2-dimethylpyridin-1-ium-4-ylidene)-2-cyanoacetate Traditional Name: (2Z)-2-(1-butyl-1,2-dimethyl-pyridin-1-ium-4-ylidene)-2-cyano-acetate Formula: C14H18N2O2 MolecularWeight: 246.30492

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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/b13-12-