2-[2,2-bis(methylsulfanyl)ethenyl]-6-bromanyl-1-methyl-quinolin-1-ium iodide

Systemtic Name: 2-[2,2-bis(methylsulfanyl)ethenyl]-6-bromanyl-1-methyl-quinolin-1-ium iodide Openeye Name: 2-[2,2-bis(methylsulfanyl)vinyl]-6-bromo-1-methyl-quinolin-1-ium iodide CAS Name: 2-[2,2-bis(methylthio)ethenyl]-6-bromo-1-methylquinolin-1-ium iodide IUPAC Name: 2-[2,2-bis(methylsulfanyl)ethenyl]-6-bromo-1-methylquinolin-1-ium iodide Traditional Name: 2-[2,2-bis(methylthio)vinyl]-6-bromo-1-methyl-quinolin-1-ium iodide Formula: C14H15BrINS2 MolecularWeight: 468.21407

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=C1C=CC(=C2)Br)C=C(SC)SC.[I-]

Isomeric SMILES

C[N+]1=C(C=CC2=C1C=CC(=C2)Br)C=C(SC)SC.[I-]

InChI

InChI=1S/C14H15BrNS2.HI/c1-16-12(9-14(17-2)18-3)6-4-10-8-11(15)5-7-13(10)16;/h4-9H,1-3H3;1H/q+1;/p-1