methyl 2-thiomorpholin-4-ylpyridin-1-ium-4-carboxylate

Systemtic Name: methyl 2-thiomorpholin-4-ylpyridin-1-ium-4-carboxylate Openeye Name: methyl 2-thiomorpholinopyridin-1-ium-4-carboxylate CAS Name: 2-thiomorpholin-4-yl-4-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 2-thiomorpholin-4-ylpyridin-1-ium-4-carboxylate Traditional Name: 2-thiomorpholinopyridin-1-ium-4-carboxylic acid methyl ester Formula: C11H15N2O2S+ MolecularWeight: 239.314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=[NH+]C=C1)N2CCSCC2

Isomeric SMILES

COC(=O)C1=CC(=[NH+]C=C1)N2CCSCC2

InChI

InChI=1S/C11H14N2O2S/c1-15-11(14)9-2-3-12-10(8-9)13-4-6-16-7-5-13/h2-3,8H,4-7H2,1H3/p+1