1-[3-(2-bromanyl-5-methylsulfanyl-phenyl)propyl]pyrimidin-1-ium-2-amine bromide

Systemtic Name: 1-[3-(2-bromanyl-5-methylsulfanyl-phenyl)propyl]pyrimidin-1-ium-2-amine bromide Openeye Name: 1-[3-(2-bromo-5-methylsulfanyl-phenyl)propyl]pyrimidin-1-ium-2-amine bromide CAS Name: 1-[3-[2-bromo-5-(methylthio)phenyl]propyl]-2-pyrimidin-1-iumamine bromide IUPAC Name: 1-[3-(2-bromo-5-methylsulfanylphenyl)propyl]pyrimidin-1-ium-2-amine bromide Traditional Name: [1-[3-[2-bromo-5-(methylthio)phenyl]propyl]pyrimidin-1-ium-2-yl]amine bromide Formula: C14H17Br2N3S MolecularWeight: 419.17788

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Br)CCC[N+]2=CC=CN=C2N.[Br-]

Isomeric SMILES

CSC1=CC(=C(C=C1)Br)CCC[N+]2=CC=CN=C2N.[Br-]

InChI

InChI=1S/C14H16BrN3S.BrH/c1-19-12-5-6-13(15)11(10-12)4-2-8-18-9-3-7-17-14(18)16;/h3,5-7,9-10,16H,2,4,8H2,1H3;1H