4-[(E)-2-(5-ethyl-1-methyl-pyridin-1-ium-2-yl)ethenyl]benzene-1,2-diol

Systemtic Name: 4-[(E)-2-(5-ethyl-1-methyl-pyridin-1-ium-2-yl)ethenyl]benzene-1,2-diol Openeye Name: 4-[(E)-2-(5-ethyl-1-methyl-pyridin-1-ium-2-yl)vinyl]benzene-1,2-diol CAS Name: 4-[(E)-2-(5-ethyl-1-methyl-2-pyridin-1-iumyl)ethenyl]benzene-1,2-diol IUPAC Name: 4-[(E)-2-(5-ethyl-1-methylpyridin-1-ium-2-yl)ethenyl]benzene-1,2-diol Traditional Name: 4-[(E)-2-(5-ethyl-1-methyl-pyridin-1-ium-2-yl)vinyl]pyrocatechol Formula: C16H18NO2+ MolecularWeight: 256.31962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=C(C=C1)C=CC2=CC(=C(C=C2)O)O)C

Isomeric SMILES

CCC1=C[N+](=C(C=C1)/C=C/C2=CC(=C(C=C2)O)O)C

InChI

InChI=1S/C16H17NO2/c1-3-12-4-7-14(17(2)11-12)8-5-13-6-9-15(18)16(19)10-13/h4-11,19H,3H2,1-2H3/p+1