(E)-1-(3,5-dimethylpyridin-1-ium-1-yl)-4-ethoxy-4-oxidanyl-but-3-en-2-one

Systemtic Name: (E)-1-(3,5-dimethylpyridin-1-ium-1-yl)-4-ethoxy-4-oxidanyl-but-3-en-2-one Openeye Name: (E)-1-(3,5-dimethylpyridin-1-ium-1-yl)-4-ethoxy-4-hydroxy-but-3-en-2-one CAS Name: (E)-1-(3,5-dimethyl-1-pyridin-1-iumyl)-4-ethoxy-4-hydroxy-3-buten-2-one IUPAC Name: (E)-1-(3,5-dimethylpyridin-1-ium-1-yl)-4-ethoxy-4-hydroxybut-3-en-2-one Traditional Name: (E)-1-(3,5-dimethylpyridin-1-ium-1-yl)-4-ethoxy-4-hydroxy-but-3-en-2-one Formula: C13H18NO3+ MolecularWeight: 236.28692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC(=O)C[N+]1=CC(=CC(=C1)C)C)O

Isomeric SMILES

CCO/C(=C/C(=O)C[N+]1=CC(=CC(=C1)C)C)/O

InChI

InChI=1S/C13H17NO3/c1-4-17-13(16)6-12(15)9-14-7-10(2)5-11(3)8-14/h5-8H,4,9H2,1-3H3/p+1