2-[2-(5-bromanyl-2-methoxy-phenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol CAS Name: 2-[2-(5-bromo-2-methoxyphenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)-6-(p-tolyl)-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(=C1O)C2C=C(NC([NH2+]2)C3=C(C=CC(=C3)Br)OC)C4=CC=C(C=C4)C

Isomeric SMILES

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

InChI

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