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

Systemtic Name: 1-(4-ethoxypyrimidin-2-yl)-8-(ethyldisulfanyl)quinolin-1-ium chloride Openeye Name: 1-(4-ethoxypyrimidin-2-yl)-8-(ethyldisulfanyl)quinolin-1-ium chloride CAS Name: 1-(4-ethoxy-2-pyrimidinyl)-8-(ethyldisulfanyl)quinolin-1-ium chloride IUPAC Name: 1-(4-ethoxypyrimidin-2-yl)-8-(ethyldisulfanyl)quinolin-1-ium chloride Traditional Name: 1-(4-ethoxypyrimidin-2-yl)-8-(ethyldisulfanyl)quinolin-1-ium chloride Formula: C17H18ClN3OS2 MolecularWeight: 379.92732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N3OS2.ClH/c1-3-21-15-10-11-18-17(19-15)20-12-6-8-13-7-5-9-14(16(13)20)23-22-4-2;/h5-12H,3-4H2,1-2H3;1H/q+1;/p-1