1-[2-(2-bromophenyl)ethyl]pyrimidin-1-ium-2-amine bromide

Systemtic Name: 1-[2-(2-bromophenyl)ethyl]pyrimidin-1-ium-2-amine bromide Openeye Name: 1-[2-(2-bromophenyl)ethyl]pyrimidin-1-ium-2-amine bromide CAS Name: 1-[2-(2-bromophenyl)ethyl]-2-pyrimidin-1-iumamine bromide IUPAC Name: 1-[2-(2-bromophenyl)ethyl]pyrimidin-1-ium-2-amine bromide Traditional Name: [1-[2-(2-bromophenyl)ethyl]pyrimidin-1-ium-2-yl]amine bromide Formula: C12H13Br2N3 MolecularWeight: 359.05972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC[N+]2=CC=CN=C2N)Br.[Br-]

Isomeric SMILES

C1=CC=C(C(=C1)CC[N+]2=CC=CN=C2N)Br.[Br-]

InChI

InChI=1S/C12H12BrN3.BrH/c13-11-5-2-1-4-10(11)6-9-16-8-3-7-15-12(16)14;/h1-5,7-8,14H,6,9H2;1H