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

Systemtic Name: 4,6-bis[(E)-2-(3-hydroxyphenyl)ethenyl]-1,3-dimethyl-pyrimidin-1-ium-2-one chloride Openeye Name: 4,6-bis[(E)-2-(3-hydroxyphenyl)vinyl]-1,3-dimethyl-pyrimidin-1-ium-2-one chloride CAS Name: 4,6-bis[(E)-2-(3-hydroxyphenyl)ethenyl]-1,3-dimethyl-2-pyrimidin-1-iumone chloride IUPAC Name: 4,6-bis[(E)-2-(3-hydroxyphenyl)ethenyl]-1,3-dimethylpyrimidin-1-ium-2-one chloride Traditional Name: 4,6-bis[(E)-2-(3-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=C2)O)C=CC3=CC(=CC=C3)O.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3.ClH/c1-23-18(11-9-16-5-3-7-20(25)13-16)15-19(24(2)22(23)27)12-10-17-6-4-8-21(26)14-17;/h3-15H,1-2H3,(H-,25,26);1H/b11-9+,12-10+;