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

Systemtic Name: 1-[3-(2-bromanyl-5-methylsulfanyl-phenyl)propyl]pyridin-1-ium-2-amine Openeye Name: 1-[3-(2-bromo-5-methylsulfanyl-phenyl)propyl]pyridin-1-ium-2-amine CAS Name: 1-[3-[2-bromo-5-(methylthio)phenyl]propyl]-2-pyridin-1-iumamine IUPAC Name: 1-[3-(2-bromo-5-methylsulfanylphenyl)propyl]pyridin-1-ium-2-amine Traditional Name: [1-[3-[2-bromo-5-(methylthio)phenyl]propyl]pyridin-1-ium-2-yl]amine Formula: C15H18BrN2S+ MolecularWeight: 338.28582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2S/c1-19-13-7-8-14(16)12(11-13)5-4-10-18-9-3-2-6-15(18)17/h2-3,6-9,11,17H,4-5,10H2,1H3/p+1