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

Systemtic Name: 4-bromanyl-2-[6-(3-methoxyphenyl)-2-propyl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Openeye Name: 4-bromo-2-[6-(3-methoxyphenyl)-2-propyl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol CAS Name: 4-bromo-2-[6-(3-methoxyphenyl)-2-propyl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol IUPAC Name: 4-bromo-2-[6-(3-methoxyphenyl)-2-propyl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Traditional Name: 4-bromo-2-[6-(3-methoxyphenyl)-2-propyl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Formula: C20H24BrN2O2+ MolecularWeight: 404.32076

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1[NH2+]C(C=C(N1)C2=CC(=CC=C2)OC)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

CCCC1[NH2+]C(C=C(N1)C2=CC(=CC=C2)OC)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C20H23BrN2O2/c1-3-5-20-22-17(13-6-4-7-15(10-13)25-2)12-18(23-20)16-11-14(21)8-9-19(16)24/h4,6-12,18,20,22-24H,3,5H2,1-2H3/p+1