4-bromanyl-2-[6-(4-ethoxyphenyl)-2-hexyl-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol

Systemtic Name: 4-bromanyl-2-[6-(4-ethoxyphenyl)-2-hexyl-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Openeye Name: 4-bromo-2-[6-(4-ethoxyphenyl)-2-hexyl-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol CAS Name: 4-bromo-2-[6-(4-ethoxyphenyl)-2-hexyl-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol IUPAC Name: 4-bromo-2-[6-(4-ethoxyphenyl)-2-hexyl-2-methyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Traditional Name: 4-bromo-2-(2-hexyl-2-methyl-6-p-phenetyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl)phenol Formula: C25H34BrN2O2+ MolecularWeight: 474.45366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1([NH2+]C(C=C(N1)C2=CC=C(C=C2)OCC)C3=C(C=CC(=C3)Br)O)C

Isomeric SMILES

CCCCCCC1([NH2+]C(C=C(N1)C2=CC=C(C=C2)OCC)C3=C(C=CC(=C3)Br)O)C

InChI

InChI=1S/C25H33BrN2O2/c1-4-6-7-8-15-25(3)27-22(18-9-12-20(13-10-18)30-5-2)17-23(28-25)21-16-19(26)11-14-24(21)29/h9-14,16-17,23,27-29H,4-8,15H2,1-3H3/p+1