1-(4-ethoxypyrimidin-2-yl)-8-(propan-2-yldisulfanyl)quinolin-1-ium chloride

Systemtic Name: 1-(4-ethoxypyrimidin-2-yl)-8-(propan-2-yldisulfanyl)quinolin-1-ium chloride Openeye Name: 1-(4-ethoxypyrimidin-2-yl)-8-(isopropyldisulfanyl)quinolin-1-ium chloride CAS Name: 1-(4-ethoxy-2-pyrimidinyl)-8-(propan-2-yldisulfanyl)quinolin-1-ium chloride IUPAC Name: 1-(4-ethoxypyrimidin-2-yl)-8-(propan-2-yldisulfanyl)quinolin-1-ium chloride Traditional Name: 1-(4-ethoxypyrimidin-2-yl)-8-(isopropyldisulfanyl)quinolin-1-ium chloride Formula: C18H20ClN3OS2 MolecularWeight: 393.9539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC=C1)[N+]2=CC=CC3=C2C(=CC=C3)SSC(C)C.[Cl-]

Isomeric SMILES

CCOC1=NC(=NC=C1)[N+]2=CC=CC3=C2C(=CC=C3)SSC(C)C.[Cl-]

InChI

InChI=1S/C18H20N3OS2.ClH/c1-4-22-16-10-11-19-18(20-16)21-12-6-8-14-7-5-9-15(17(14)21)24-23-13(2)3;/h5-13H,4H2,1-3H3;1H/q+1;/p-1