2-[6-(3-bromophenyl)-2,2-dimethyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol

Systemtic Name: 2-[6-(3-bromophenyl)-2,2-dimethyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Openeye Name: 2-[6-(3-bromophenyl)-2,2-dimethyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol CAS Name: 2-[6-(3-bromophenyl)-2,2-dimethyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol IUPAC Name: 2-[6-(3-bromophenyl)-2,2-dimethyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Traditional Name: 2-[6-(3-bromophenyl)-2,2-dimethyl-3,4-dihydro-1H-pyrimidin-3-ium-4-yl]phenol Formula: C18H20BrN2O+ MolecularWeight: 360.2682

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Descriptors Computed from Structure

Canonical SMILES:

CC1([NH2+]C(C=C(N1)C2=CC(=CC=C2)Br)C3=CC=CC=C3O)C

Isomeric SMILES

CC1([NH2+]C(C=C(N1)C2=CC(=CC=C2)Br)C3=CC=CC=C3O)C

InChI

InChI=1S/C18H19BrN2O/c1-18(2)20-15(12-6-5-7-13(19)10-12)11-16(21-18)14-8-3-4-9-17(14)22/h3-11,16,20-22H,1-2H3/p+1