methyl 1-(hydroxymethylsulfanylmethyl)-4H-pyridin-1-ium-1-carboxylate

Systemtic Name: methyl 1-(hydroxymethylsulfanylmethyl)-4H-pyridin-1-ium-1-carboxylate Openeye Name: methyl 1-(hydroxymethylsulfanylmethyl)-4H-pyridin-1-ium-1-carboxylate CAS Name: 1-[(hydroxymethylthio)methyl]-4H-pyridin-1-ium-1-carboxylic acid methyl ester IUPAC Name: methyl 1-(hydroxymethylsulfanylmethyl)-4H-pyridin-1-ium-1-carboxylate Traditional Name: 1-[(methylolthio)methyl]-4H-pyridin-1-ium-1-carboxylic acid methyl ester Formula: C9H14NO3S+ MolecularWeight: 216.27736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[N+]1(C=CCC=C1)CSCO

Isomeric SMILES

COC(=O)[N+]1(C=CCC=C1)CSCO

InChI

InChI=1S/C9H14NO3S/c1-13-9(12)10(7-14-8-11)5-3-2-4-6-10/h3-6,11H,2,7-8H2,1H3/q+1