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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)N(CC2=CC=C(C=C2)Br)C3=NC=CC=N3

Isomeric SMILES

C1=CC=[N+](C=C1)N(CC2=CC=C(C=C2)Br)C3=NC=CC=N3

InChI

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