S-[(1,3-dimethylpyridin-1-ium-4-yl)methyl] ethanethioate

Systemtic Name: S-[(1,3-dimethylpyridin-1-ium-4-yl)methyl] ethanethioate Openeye Name: S-[(1,3-dimethylpyridin-1-ium-4-yl)methyl] ethanethioate CAS Name: ethanethioic acid S-[(1,3-dimethyl-4-pyridin-1-iumyl)methyl] ester IUPAC Name: S-[(1,3-dimethylpyridin-1-ium-4-yl)methyl] ethanethioate Traditional Name: ethanethioic acid S-[(1,3-dimethylpyridin-1-ium-4-yl)methyl] ester Formula: C10H14NOS+ MolecularWeight: 196.28926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[N+](=C1)C)CSC(=O)C

Isomeric SMILES

CC1=C(C=C[N+](=C1)C)CSC(=O)C

InChI

InChI=1S/C10H14NOS/c1-8-6-11(3)5-4-10(8)7-13-9(2)12/h4-6H,7H2,1-3H3/q+1