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

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-bromanyl-phenol Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-bromo-phenol CAS Name: 2-[6-(1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-bromophenol IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-bromophenol Traditional Name: 2-[6-(1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-bromo-phenol Formula: C25H24BrN2O3+ MolecularWeight: 480.37366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2[NH2+]C(C=C(N2)C3=CC4=C(C=C3)OCO4)C5=C(C=CC(=C5)Br)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2[NH2+]C(C=C(N2)C3=CC4=C(C=C3)OCO4)C5=C(C=CC(=C5)Br)O)C

InChI

InChI=1S/C25H23BrN2O3/c1-14-3-6-18(15(2)9-14)25-27-20(16-4-8-23-24(10-16)31-13-30-23)12-21(28-25)19-11-17(26)5-7-22(19)29/h3-12,21,25,27-29H,13H2,1-2H3/p+1