Identifiers

• Canonical SMILES:

  CC(=O)C[n+]1c(Cc2cc[n+](C)c3ccccc23)sc4ccccc14

• IUPAC name:

  1-methyl-4-{[3-(2-oxopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium

• InChi:

  InChI=1S/C21H20N2OS/c1-15(24)14-23-19-9-5-6-10-20(19)25-21(23)13-16-11-12-22(2)18-8-4-3-7-17(16)18/h3-12H,13-14H2,1-2H3/q+2

• InChiKey:

  HTPXDOYVWJQKFJ-UHFFFAOYSA-N

• SMARTS:

  [#6]-[#6](=[#8])-[#6]-[#7+]1:[#6](-[#6]-[#6]2:[#6]:[#6]:[#7+](-[#6]):[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:2:3):[#16]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2

Chemistry rules

External links

137796762 HZG

RNA-SM complexes