2-[2-(3-bromanyl-4-fluoranyl-phenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol

Systemtic Name: 2-[2-(3-bromanyl-4-fluoranyl-phenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol Openeye Name: 2-[2-(3-bromo-4-fluoro-phenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol CAS Name: 2-[2-(3-bromo-4-fluorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol IUPAC Name: 2-[2-(3-bromo-4-fluorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol Traditional Name: 2-[2-(3-bromo-4-fluoro-phenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol Formula: C25H25BrFN2O3+ MolecularWeight: 500.380003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C2C=C(NC([NH2+]2)C3=CC(=C(C=C3)F)Br)C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC1=CC=CC(=C1O)C2C=C(NC([NH2+]2)C3=CC(=C(C=C3)F)Br)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H24BrFN2O3/c1-3-32-23-9-5-8-18(24(23)30)22-14-21(15-6-4-7-17(12-15)31-2)28-25(29-22)16-10-11-20(27)19(26)13-16/h4-14,22,25,28-30H,3H2,1-2H3/p+1