(2Z)-2-cyano-2-[1-[3-(2-ethylhexoxy)propyl]-1,2-dimethyl-pyridin-1-ium-4-ylidene]ethanoate

Systemtic Name: (2Z)-2-cyano-2-[1-[3-(2-ethylhexoxy)propyl]-1,2-dimethyl-pyridin-1-ium-4-ylidene]ethanoate Openeye Name: (2Z)-2-cyano-2-[1-[3-(2-ethylhexoxy)propyl]-1,2-dimethyl-pyridin-1-ium-4-ylidene]acetate CAS Name: (2Z)-2-cyano-2-[1-[3-(2-ethylhexoxy)propyl]-1,2-dimethyl-4-pyridin-1-iumylidene]acetate IUPAC Name: (2Z)-2-cyano-2-[1-[3-(2-ethylhexoxy)propyl]-1,2-dimethylpyridin-1-ium-4-ylidene]acetate Traditional Name: (2Z)-2-cyano-2-[1-[3-(2-ethylhexoxy)propyl]-1,2-dimethyl-pyridin-1-ium-4-ylidene]acetate Formula: C21H32N2O3 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COCCC[N+]1(C=CC(=C(C#N)C(=O)[O-])C=C1C)C

Isomeric SMILES

CCCCC(CC)COCCC[N+]1(C=C/C(=C(\C#N)/C(=O)[O-])/C=C1C)C

InChI

InChI=1S/C21H32N2O3/c1-5-7-9-18(6-2)16-26-13-8-11-23(4)12-10-19(14-17(23)3)20(15-22)21(24)25/h10,12,14,18H,5-9,11,13,16H2,1-4H3/b20-19-