1-[(4-bromophenyl)methyl]-N-pyridin-1-ium-1-yl-pyrimidin-2-imine

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-pyridin-1-ium-1-yl-pyrimidin-2-imine Openeye Name: 1-[(4-bromophenyl)methyl]-N-pyridin-1-ium-1-yl-pyrimidin-2-imine CAS Name: 1-[(4-bromophenyl)methyl]-N-(1-pyridin-1-iumyl)-2-pyrimidinimine IUPAC Name: 1-[(4-bromophenyl)methyl]-N-pyridin-1-ium-1-ylpyrimidin-2-imine Traditional Name: (Z)-[1-(4-bromobenzyl)pyrimidin-2-ylidene]-pyridin-1-ium-1-yl-amine Formula: C16H14BrN4+ MolecularWeight: 342.21316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)N=C2N=CC=CN2CC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=[N+](C=C1)/N=C/2\N=CC=CN2CC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H14BrN4/c17-15-7-5-14(6-8-15)13-20-10-4-9-18-16(20)19-21-11-2-1-3-12-21/h1-12H,13H2/q+1/b19-16+