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

Systemtic Name: 2-[2-(3-bromophenyl)-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Openeye Name: 2-[2-(3-bromophenyl)-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol CAS Name: 2-[2-(3-bromophenyl)-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol IUPAC Name: 2-[2-(3-bromophenyl)-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Traditional Name: 2-[2-(3-bromophenyl)-6-p-phenetyl-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:

CCOC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=CC(=CC=C3)Br)C4=CC=CC=C4O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=CC(=CC=C3)Br)C4=CC=CC=C4O

InChI

InChI=1S/C24H23BrN2O2/c1-2-29-19-12-10-16(11-13-19)21-15-22(20-8-3-4-9-23(20)28)27-24(26-21)17-6-5-7-18(25)14-17/h3-15,22,24,26-28H,2H2,1H3/p+1