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

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)-6-(4-ethylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)-6-(4-ethylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol CAS Name: 2-[2-(5-bromo-2-methoxyphenyl)-6-(4-ethylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)-6-(4-ethylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)-6-(4-ethylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Formula: C25H26BrN2O2+ MolecularWeight: 466.39014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=C(C=CC(=C3)Br)OC)C4=CC=CC=C4O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=C(C=CC(=C3)Br)OC)C4=CC=CC=C4O

InChI

InChI=1S/C25H25BrN2O2/c1-3-16-8-10-17(11-9-16)21-15-22(19-6-4-5-7-23(19)29)28-25(27-21)20-14-18(26)12-13-24(20)30-2/h4-15,22,25,27-29H,3H2,1-2H3/p+1