(2S,3R)-3-(1-methylpiperidin-1-ium-1-yl)-2-propyl-thietane 1,1-dioxide

Systemtic Name: (2S,3R)-3-(1-methylpiperidin-1-ium-1-yl)-2-propyl-thietane 1,1-dioxide Openeye Name: (2S,3R)-3-(1-methylpiperidin-1-ium-1-yl)-2-propyl-thietane 1,1-dioxide CAS Name: (2S,3R)-3-(1-methyl-1-piperidin-1-iumyl)-2-propylthietane 1,1-dioxide IUPAC Name: (2S,3R)-3-(1-methylpiperidin-1-ium-1-yl)-2-propylthietane 1,1-dioxide Traditional Name: (2S,3R)-3-(1-methylpiperidin-1-ium-1-yl)-2-propyl-thietane 1,1-dioxide Formula: C12H24NO2S+ MolecularWeight: 246.38946

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(CS1(=O)=O)[N+]2(CCCCC2)C

Isomeric SMILES

CCC[C@H]1[C@@H](CS1(=O)=O)[N+]2(CCCCC2)C

InChI

InChI=1S/C12H24NO2S/c1-3-7-12-11(10-16(12,14)15)13(2)8-5-4-6-9-13/h11-12H,3-10H2,1-2H3/q+1/t11-,12+/m1/s1