1,3-dimethyl-4,6-bis[(E)-2-[2,3,6-tris(oxidanyl)phenyl]ethenyl]pyrimidin-1-ium-2-one

Systemtic Name: 1,3-dimethyl-4,6-bis[(E)-2-[2,3,6-tris(oxidanyl)phenyl]ethenyl]pyrimidin-1-ium-2-one Openeye Name: 1,3-dimethyl-4,6-bis[(E)-2-(2,3,6-trihydroxyphenyl)vinyl]pyrimidin-1-ium-2-one CAS Name: 1,3-dimethyl-4,6-bis[(E)-2-(2,3,6-trihydroxyphenyl)ethenyl]-2-pyrimidin-1-iumone IUPAC Name: 1,3-dimethyl-4,6-bis[(E)-2-(2,3,6-trihydroxyphenyl)ethenyl]pyrimidin-1-ium-2-one Traditional Name: 1,3-dimethyl-4,6-bis[(E)-2-(2,3,6-trihydroxyphenyl)vinyl]pyrimidin-1-ium-2-one Formula: C22H21N2O7+ MolecularWeight: 425.41134

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+](C1=O)C)C=CC2=C(C=CC(=C2O)O)O)C=CC3=C(C=CC(=C3O)O)O

Isomeric SMILES

CN1C(=CC(=[N+](C1=O)C)/C=C/C2=C(C=CC(=C2O)O)O)/C=C/C3=C(C=CC(=C3O)O)O

InChI

InChI=1S/C22H20N2O7/c1-23-12(3-5-14-16(25)7-9-18(27)20(14)29)11-13(24(2)22(23)31)4-6-15-17(26)8-10-19(28)21(15)30/h3-11H,1-2H3,(H5,25,26,27,28,29,30)/p+1