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

Systemtic Name: 4-bromanyl-2-[2-(2,5-dimethoxyphenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Openeye Name: 4-bromo-2-[2-(2,5-dimethoxyphenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol CAS Name: 4-bromo-2-[2-(2,5-dimethoxyphenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol IUPAC Name: 4-bromo-2-[2-(2,5-dimethoxyphenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Traditional Name: 4-bromo-2-[2-(2,5-dimethoxyphenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Formula: C25H26BrN2O3+ MolecularWeight: 482.38954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=C(C=CC(=C3)OC)OC)C4=C(C=CC(=C4)Br)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=C(C=CC(=C3)OC)OC)C4=C(C=CC(=C4)Br)O

InChI

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