1-methyl-2-(2-methylsulfanyl-2-pyrrolidin-1-yl-ethenyl)quinolin-1-ium iodide

Systemtic Name: 1-methyl-2-(2-methylsulfanyl-2-pyrrolidin-1-yl-ethenyl)quinolin-1-ium iodide Openeye Name: 1-methyl-2-(2-methylsulfanyl-2-pyrrolidin-1-yl-vinyl)quinolin-1-ium iodide CAS Name: 1-methyl-2-[2-(methylthio)-2-(1-pyrrolidinyl)ethenyl]quinolin-1-ium iodide IUPAC Name: 1-methyl-2-(2-methylsulfanyl-2-pyrrolidin-1-ylethenyl)quinolin-1-ium iodide Traditional Name: 1-methyl-2-[2-(methylthio)-2-pyrrolidino-vinyl]quinolin-1-ium iodide Formula: C17H21IN2S MolecularWeight: 412.33151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=C(N3CCCC3)SC.[I-]

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)C=C(N3CCCC3)SC.[I-]

InChI

InChI=1S/C17H21N2S.HI/c1-18-15(10-9-14-7-3-4-8-16(14)18)13-17(20-2)19-11-5-6-12-19;/h3-4,7-10,13H,5-6,11-12H2,1-2H3;1H/q+1;/p-1