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

Systemtic Name: 2-[2-(3-bromanyl-4-methoxy-phenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol Openeye Name: 2-[2-(3-bromo-4-methoxy-phenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol CAS Name: 2-[2-(3-bromo-4-methoxyphenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol IUPAC Name: 2-[2-(3-bromo-4-methoxyphenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol Traditional Name: 2-[2-(3-bromo-4-methoxy-phenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol Formula: C26H28BrN2O4+ MolecularWeight: 512.41552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C2C=C(NC([NH2+]2)C3=CC(=C(C=C3)OC)Br)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC1=CC=CC(=C1O)C2C=C(NC([NH2+]2)C3=CC(=C(C=C3)OC)Br)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H27BrN2O4/c1-4-33-24-7-5-6-19(25(24)30)22-15-21(16-8-11-18(31-2)12-9-16)28-26(29-22)17-10-13-23(32-3)20(27)14-17/h5-15,22,26,28-30H,4H2,1-3H3/p+1