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

Systemtic Name: 4-bromanyl-2-[6-(4-ethylphenyl)-2-methyl-2-propyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Openeye Name: 4-bromo-2-[6-(4-ethylphenyl)-2-methyl-2-propyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol CAS Name: 4-bromo-2-[6-(4-ethylphenyl)-2-methyl-2-propyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol IUPAC Name: 4-bromo-2-[6-(4-ethylphenyl)-2-methyl-2-propyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Traditional Name: 4-bromo-2-[6-(4-ethylphenyl)-2-methyl-2-propyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Formula: C22H28BrN2O+ MolecularWeight: 416.37452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O/c1-4-12-22(3)24-19(16-8-6-15(5-2)7-9-16)14-20(25-22)18-13-17(23)10-11-21(18)26/h6-11,13-14,20,24-26H,4-5,12H2,1-3H3/p+1