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

Systemtic Name: 2-[2,2-bis(methylsulfanyl)ethenyl]-1-methyl-quinolin-1-ium iodide Openeye Name: 2-[2,2-bis(methylsulfanyl)vinyl]-1-methyl-quinolin-1-ium iodide CAS Name: 2-[2,2-bis(methylthio)ethenyl]-1-methylquinolin-1-ium iodide IUPAC Name: 2-[2,2-bis(methylsulfanyl)ethenyl]-1-methylquinolin-1-ium iodide Traditional Name: 2-[2,2-bis(methylthio)vinyl]-1-methyl-quinolin-1-ium iodide Formula: C14H16INS2 MolecularWeight: 389.31801

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=C(SC)SC.[I-]

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)C=C(SC)SC.[I-]

InChI

InChI=1S/C14H16NS2.HI/c1-15-12(10-14(16-2)17-3)9-8-11-6-4-5-7-13(11)15;/h4-10H,1-3H3;1H/q+1;/p-1