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

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol CAS Name: 2-[2-(5-bromo-2-methoxyphenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Formula: C24H24BrN2O3+ MolecularWeight: 468.36296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=C(C=CC(=C3)Br)OC)C4=CC=CC=C4O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=C(C=CC(=C3)Br)OC)C4=CC=CC=C4O

InChI

InChI=1S/C24H23BrN2O3/c1-29-17-10-7-15(8-11-17)20-14-21(18-5-3-4-6-22(18)28)27-24(26-20)19-13-16(25)9-12-23(19)30-2/h3-14,21,24,26-28H,1-2H3/p+1