1-ethyl-2-ethylsulfanyl-quinolin-1-ium; ethyl sulfate

Systemtic Name: 1-ethyl-2-ethylsulfanyl-quinolin-1-ium; ethyl sulfate Openeye Name: 1-ethyl-2-ethylsulfanyl-quinolin-1-ium; ethyl sulfate CAS Name: 1-ethyl-2-(ethylthio)quinolin-1-ium; ethyl sulfate IUPAC Name: 1-ethyl-2-ethylsulfanylquinolin-1-ium; ethyl sulfate Traditional Name: 1-ethyl-2-(ethylthio)quinolin-1-ium; ethyl sulfate Formula: C15H21NO4S2 MolecularWeight: 343.46154

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=CC=CC=C21)SCC.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(C=CC2=CC=CC=C21)SCC.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C13H16NS.C2H6O4S/c1-3-14-12-8-6-5-7-11(12)9-10-13(14)15-4-2;1-2-6-7(3,4)5/h5-10H,3-4H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1