2-[2-(4-bromophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol

Systemtic Name: 2-[2-(4-bromophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Openeye Name: 2-[2-(4-bromophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol CAS Name: 2-[2-(4-bromophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol IUPAC Name: 2-[2-(4-bromophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Traditional Name: 2-[2-(4-bromophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Formula: C23H22BrN2O2+ MolecularWeight: 438.33698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN2O2/c1-28-18-6-4-5-16(13-18)20-14-21(19-7-2-3-8-22(19)27)26-23(25-20)15-9-11-17(24)12-10-15/h2-14,21,23,25-27H,1H3/p+1