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1-ethyl-6-methoxy-2-methylsulfanyl-quinolin-1-ium; methyl sulfate

1-ethyl-6-methoxy-2-methylsulfanyl-quinolin-1-ium; methyl sulfate

Systemtic Name:1-ethyl-6-methoxy-2-methylsulfanyl-quinolin-1-ium; methyl sulfate
Openeye Name:1-ethyl-6-methoxy-2-methylsulfanyl-quinolin-1-ium; methyl sulfate
CAS Name:1-ethyl-6-methoxy-2-(methylthio)quinolin-1-ium; methyl sulfate
IUPAC Name:1-ethyl-6-methoxy-2-methylsulfanylquinolin-1-ium; methyl sulfate
Traditional Name:1-ethyl-6-methoxy-2-(methylthio)quinolin-1-ium; methyl sulfate
Formula: C14H19NO5S2
MolecularWeight: 345.43436
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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)SC.COS(=O)(=O)[O-]


Isomeric SMILES

CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)SC.COS(=O)(=O)[O-]


InChI

InChI=1S/C13H16NOS.CH4O4S/c1-4-14-12-7-6-11(15-2)9-10(12)5-8-13(14)16-3;1-5-6(2,3)4/h5-9H,4H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


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