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

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromanyl-4-methoxy-phenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromo-4-methoxy-phenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol CAS Name: 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromo-4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromo-4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol Traditional Name: 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromo-4-methoxy-phenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol Formula: C26H26BrN2O5+ MolecularWeight: 526.39904

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=CC(=C1O)C2C=C(NC([NH2+]2)C3=CC(=C(C=C3)OC)Br)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H25BrN2O5/c1-3-32-23-6-4-5-17(25(23)30)20-13-19(15-7-10-22-24(12-15)34-14-33-22)28-26(29-20)16-8-9-21(31-2)18(27)11-16/h4-13,20,26,28-30H,3,14H2,1-2H3/p+1