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

Systemtic Name: 4-bromanyl-2-[6-(4-ethylphenyl)-2-pyridin-3-yl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Openeye Name: 4-bromo-2-[6-(4-ethylphenyl)-2-(3-pyridyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol CAS Name: 4-bromo-2-[6-(4-ethylphenyl)-2-(3-pyridinyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol IUPAC Name: 4-bromo-2-[6-(4-ethylphenyl)-2-pyridin-3-yl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Traditional Name: 4-bromo-2-[6-(4-ethylphenyl)-2-(3-pyridyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Formula: C23H23BrN3O+ MolecularWeight: 437.35222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN3O/c1-2-15-5-7-16(8-6-15)20-13-21(19-12-18(24)9-10-22(19)28)27-23(26-20)17-4-3-11-25-14-17/h3-14,21,23,26-28H,2H2,1H3/p+1