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

Systemtic Name: 2-[6-(3-bromophenyl)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol Openeye Name: 2-[6-(3-bromophenyl)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol CAS Name: 2-[6-(3-bromophenyl)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol IUPAC Name: 2-[6-(3-bromophenyl)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol Traditional Name: 2-[6-(3-bromophenyl)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol Formula: C25H26BrN2O3+ MolecularWeight: 482.38954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C2C=C(NC([NH2+]2)C3=CC=CC=C3OC)C4=CC(=CC=C4)Br

Isomeric SMILES

CCOC1=CC=CC(=C1O)C2C=C(NC([NH2+]2)C3=CC=CC=C3OC)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H25BrN2O3/c1-3-31-23-13-7-11-18(24(23)29)21-15-20(16-8-6-9-17(26)14-16)27-25(28-21)19-10-4-5-12-22(19)30-2/h4-15,21,25,27-29H,3H2,1-2H3/p+1