ethyl 4-methylsulfanyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-5-ium-1-carboxylate

Systemtic Name: ethyl 4-methylsulfanyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-5-ium-1-carboxylate Openeye Name: ethyl 4-methylsulfanyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-5-ium-1-carboxylate CAS Name: 4-(methylthio)-1,2,3,6,7,8,9,9a-octahydroquinolizin-5-ium-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methylsulfanyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-5-ium-1-carboxylate Traditional Name: 4-(methylthio)-1,2,3,6,7,8,9,9a-octahydroquinolizin-5-ium-1-carboxylic acid ethyl ester Formula: C13H22NO2S+ MolecularWeight: 256.38428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(=[N+]2C1CCCC2)SC

Isomeric SMILES

CCOC(=O)C1CCC(=[N+]2C1CCCC2)SC

InChI

InChI=1S/C13H22NO2S/c1-3-16-13(15)10-7-8-12(17-2)14-9-5-4-6-11(10)14/h10-11H,3-9H2,1-2H3/q+1