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

Systemtic Name: 4-bromanyl-2-[2-(2-ethoxyphenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Openeye Name: 4-bromo-2-[2-(2-ethoxyphenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol CAS Name: 4-bromo-2-[2-(2-ethoxyphenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol IUPAC Name: 4-bromo-2-[2-(2-ethoxyphenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Traditional Name: 4-bromo-2-[2-o-phenetyl-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Formula: C25H26BrN2O2+ MolecularWeight: 466.39014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrN2O2/c1-3-30-24-7-5-4-6-19(24)25-27-21(17-10-8-16(2)9-11-17)15-22(28-25)20-14-18(26)12-13-23(20)29/h4-15,22,25,27-29H,3H2,1-2H3/p+1