2-[6-(4-bromophenyl)-2-(2-ethoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol

Systemtic Name: 2-[6-(4-bromophenyl)-2-(2-ethoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol Openeye Name: 2-[6-(4-bromophenyl)-2-(2-ethoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol CAS Name: 2-[6-(4-bromophenyl)-2-(2-ethoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol IUPAC Name: 2-[6-(4-bromophenyl)-2-(2-ethoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol Traditional Name: 2-[6-(4-bromophenyl)-2-o-phenetyl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol Formula: C26H28BrN2O3+ MolecularWeight: 496.41612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2[NH2+]C(C=C(N2)C3=CC=C(C=C3)Br)C4=C(C(=CC=C4)OCC)O

Isomeric SMILES

CCOC1=CC=CC=C1C2[NH2+]C(C=C(N2)C3=CC=C(C=C3)Br)C4=C(C(=CC=C4)OCC)O

InChI

InChI=1S/C26H27BrN2O3/c1-3-31-23-10-6-5-8-20(23)26-28-21(17-12-14-18(27)15-13-17)16-22(29-26)19-9-7-11-24(25(19)30)32-4-2/h5-16,22,26,28-30H,3-4H2,1-2H3/p+1