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

Systemtic Name: 2-[6-(4-bromophenyl)-2-(2-methylpropyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol Openeye Name: 2-[6-(4-bromophenyl)-2-isobutyl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol CAS Name: 2-[6-(4-bromophenyl)-2-(2-methylpropyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol IUPAC Name: 2-[6-(4-bromophenyl)-2-(2-methylpropyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol Traditional Name: 2-[6-(4-bromophenyl)-2-isobutyl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol Formula: C22H28BrN2O2+ MolecularWeight: 432.37392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O2/c1-4-27-20-7-5-6-17(22(20)26)19-13-18(15-8-10-16(23)11-9-15)24-21(25-19)12-14(2)3/h5-11,13-14,19,21,24-26H,4,12H2,1-3H3/p+1