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

Systemtic Name: 4,6-bis[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-dimethyl-pyrimidin-1-ium-2-one chloride Openeye Name: 4,6-bis[(E)-2-(3-methoxyphenyl)vinyl]-1,3-dimethyl-pyrimidin-1-ium-2-one chloride CAS Name: 4,6-bis[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-dimethyl-2-pyrimidin-1-iumone chloride IUPAC Name: 4,6-bis[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-dimethylpyrimidin-1-ium-2-one chloride Traditional Name: 4,6-bis[(E)-2-(3-methoxyphenyl)vinyl]-1,3-dimethyl-pyrimidin-1-ium-2-one chloride Formula: C24H25ClN2O3 MolecularWeight: 424.9199

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+](C1=O)C)C=CC2=CC(=CC=C2)OC)C=CC3=CC(=CC=C3)OC.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C24H25N2O3.ClH/c1-25-20(13-11-18-7-5-9-22(15-18)28-3)17-21(26(2)24(25)27)14-12-19-8-6-10-23(16-19)29-4;/h5-17H,1-4H3;1H/q+1;/p-1/b13-11+,14-12+;