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

Systemtic Name: 2-[2-(3-bromanyl-4-methoxy-phenyl)-6-(4-ethylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol Openeye Name: 2-[2-(3-bromo-4-methoxy-phenyl)-6-(4-ethylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol CAS Name: 2-[2-(3-bromo-4-methoxyphenyl)-6-(4-ethylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol IUPAC Name: 2-[2-(3-bromo-4-methoxyphenyl)-6-(4-ethylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol Traditional Name: 2-[2-(3-bromo-4-methoxy-phenyl)-6-(4-ethylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol Formula: C27H30BrN2O3+ MolecularWeight: 510.4427

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=CC(=C(C=C3)OC)Br)C4=C(C(=CC=C4)OCC)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=CC(=C(C=C3)OC)Br)C4=C(C(=CC=C4)OCC)O

InChI

InChI=1S/C27H29BrN2O3/c1-4-17-9-11-18(12-10-17)22-16-23(20-7-6-8-25(26(20)31)33-5-2)30-27(29-22)19-13-14-24(32-3)21(28)15-19/h6-16,23,27,29-31H,4-5H2,1-3H3/p+1