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

Systemtic Name: 2-[2-(3-bromanyl-4-methoxy-phenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Openeye Name: 2-[2-(3-bromo-4-methoxy-phenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol CAS Name: 2-[2-(3-bromo-4-methoxyphenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol IUPAC Name: 2-[2-(3-bromo-4-methoxyphenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Traditional Name: 2-[2-(3-bromo-4-methoxy-phenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Formula: C24H24BrN2O2+ MolecularWeight: 452.36356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=CC(=C(C=C3)OC)Br)C4=CC=CC=C4O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=CC(=C(C=C3)OC)Br)C4=CC=CC=C4O

InChI

InChI=1S/C24H23BrN2O2/c1-15-7-9-16(10-8-15)20-14-21(18-5-3-4-6-22(18)28)27-24(26-20)17-11-12-23(29-2)19(25)13-17/h3-14,21,24,26-28H,1-2H3/p+1