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

Systemtic Name: 2-[2-(3-bromanyl-4-methoxy-phenyl)-6-(4-chlorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-methoxy-phenol Openeye Name: 2-[2-(3-bromo-4-methoxy-phenyl)-6-(4-chlorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-methoxy-phenol CAS Name: 2-[2-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-methoxyphenol IUPAC Name: 2-[2-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-methoxyphenol Traditional Name: 2-[2-(3-bromo-4-methoxy-phenyl)-6-(4-chlorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-methoxy-phenol Formula: C24H23BrClN2O3+ MolecularWeight: 502.80802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22BrClN2O3/c1-30-21-11-8-15(12-18(21)25)24-27-19(14-6-9-16(26)10-7-14)13-20(28-24)17-4-3-5-22(31-2)23(17)29/h3-13,20,24,27-29H,1-2H3/p+1