2-(3,5-dimethylpyridin-1-ium-1-yl)ethanethiol; methanesulfonate

Systemtic Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)ethanethiol; methanesulfonate Openeye Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)ethanethiol; methanesulfonate CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)ethanethiol; methanesulfonate IUPAC Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)ethanethiol; methanesulfonate Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)ethanethiol mesylate Formula: C10H17NO3S2 MolecularWeight: 263.37688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)CCS)C.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C[N+](=C1)CCS)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C9H13NS.CH4O3S/c1-8-5-9(2)7-10(6-8)3-4-11;1-5(2,3)4/h5-7H,3-4H2,1-2H3;1H3,(H,2,3,4)