4,6-bis[(E)-2-(2-hydroxyphenyl)ethenyl]-1,3-dimethyl-pyrimidin-1-ium-2-one chloride

Systemtic Name: 4,6-bis[(E)-2-(2-hydroxyphenyl)ethenyl]-1,3-dimethyl-pyrimidin-1-ium-2-one chloride Openeye Name: 4,6-bis[(E)-2-(2-hydroxyphenyl)vinyl]-1,3-dimethyl-pyrimidin-1-ium-2-one chloride CAS Name: 4,6-bis[(E)-2-(2-hydroxyphenyl)ethenyl]-1,3-dimethyl-2-pyrimidin-1-iumone chloride IUPAC Name: 4,6-bis[(E)-2-(2-hydroxyphenyl)ethenyl]-1,3-dimethylpyrimidin-1-ium-2-one chloride Traditional Name: 4,6-bis[(E)-2-(2-hydroxyphenyl)vinyl]-1,3-dimethyl-pyrimidin-1-ium-2-one chloride Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3.ClH/c1-23-18(13-11-16-7-3-5-9-20(16)25)15-19(24(2)22(23)27)14-12-17-8-4-6-10-21(17)26;/h3-15H,1-2H3,(H,25,26);1H