methanesulfonate; 2-pyridin-1-ium-1-ylcyclohexane-1-thiol

Systemtic Name: methanesulfonate; 2-pyridin-1-ium-1-ylcyclohexane-1-thiol Openeye Name: methanesulfonate; 2-pyridin-1-ium-1-ylcyclohexanethiol CAS Name: methanesulfonate; 2-(1-pyridin-1-iumyl)-1-cyclohexanethiol IUPAC Name: methanesulfonate; 2-pyridin-1-ium-1-ylcyclohexane-1-thiol Traditional Name: 2-pyridin-1-ium-1-ylcyclohexanethiol mesylate Formula: C12H19NO3S2 MolecularWeight: 289.41416

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1CCC(C(C1)[N+]2=CC=CC=C2)S

Isomeric SMILES

CS(=O)(=O)[O-].C1CCC(C(C1)[N+]2=CC=CC=C2)S

InChI

InChI=1S/C11H15NS.CH4O3S/c13-11-7-3-2-6-10(11)12-8-4-1-5-9-12;1-5(2,3)4/h1,4-5,8-11H,2-3,6-7H2;1H3,(H,2,3,4)