5-methyl-1-[(Z)-4-[(1-methylpyridin-1-ium-4-yl)-diphenyl-methoxy]but-2-enyl]pyrimidine-2,4-dione iodide

Systemtic Name: 5-methyl-1-[(Z)-4-[(1-methylpyridin-1-ium-4-yl)-diphenyl-methoxy]but-2-enyl]pyrimidine-2,4-dione iodide Openeye Name: 5-methyl-1-[(Z)-4-[(1-methylpyridin-1-ium-4-yl)-diphenyl-methoxy]but-2-enyl]pyrimidine-2,4-dione iodide CAS Name: 5-methyl-1-[(Z)-4-[(1-methyl-4-pyridin-1-iumyl)-diphenylmethoxy]but-2-enyl]pyrimidine-2,4-dione iodide IUPAC Name: 5-methyl-1-[(Z)-4-[(1-methylpyridin-1-ium-4-yl)-diphenylmethoxy]but-2-enyl]pyrimidine-2,4-dione iodide Traditional Name: 5-methyl-1-[(Z)-4-[(1-methylpyridin-1-ium-4-yl)-diphenyl-methoxy]but-2-enyl]pyrimidine-2,4-quinone iodide Formula: C28H28IN3O3 MolecularWeight: 581.44469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)CC=CCOC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=[N+](C=C4)C.[I-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C/C=C\COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=[N+](C=C4)C.[I-]

InChI

InChI=1S/C28H27N3O3.HI/c1-22-21-31(27(33)29-26(22)32)17-9-10-20-34-28(23-11-5-3-6-12-23,24-13-7-4-8-14-24)25-15-18-30(2)19-16-25;/h3-16,18-19,21H,17,20H2,1-2H3;1H/b10-9-;