2-[(2-bromanyl-4-phenyl-phenoxy)methyl]-5,7-dimethyl-1H-imidazo[1,2-a]pyrimidin-4-ium

Systemtic Name: 2-[(2-bromanyl-4-phenyl-phenoxy)methyl]-5,7-dimethyl-1H-imidazo[1,2-a]pyrimidin-4-ium Openeye Name: 2-[(2-bromo-4-phenyl-phenoxy)methyl]-5,7-dimethyl-1H-imidazo[1,2-a]pyrimidin-4-ium CAS Name: 2-[(2-bromo-4-phenylphenoxy)methyl]-5,7-dimethyl-1H-imidazo[1,2-a]pyrimidin-4-ium IUPAC Name: 2-[(2-bromo-4-phenylphenoxy)methyl]-5,7-dimethyl-1H-imidazo[1,2-a]pyrimidin-4-ium Traditional Name: 2-[(2-bromo-4-phenyl-phenoxy)methyl]-5,7-dimethyl-1H-imidazo[1,2-a]pyrimidin-4-ium Formula: C21H19BrN3O+ MolecularWeight: 409.29906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C=C(NC2=N1)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br)C

Isomeric SMILES

CC1=CC(=[N+]2C=C(NC2=N1)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br)C

InChI

InChI=1S/C21H18BrN3O/c1-14-10-15(2)25-12-18(24-21(25)23-14)13-26-20-9-8-17(11-19(20)22)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3/p+1