3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propane-1-sulfonate Formula: C10H21NO3S MolecularWeight: 235.34364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCS(=O)(=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CCCS(=O)(=O)[O-])C

InChI

InChI=1S/C10H21NO3S/c1-9-6-10(2)8-11(7-9)4-3-5-15(12,13)14/h9-10H,3-8H2,1-2H3,(H,12,13,14)/t9-,10-/m1/s1