(3R,4R)-3-(2-methoxy-5-methyl-phenyl)sulfonyl-4-piperidin-1-ium-1-yl-thiolane 1,1-dioxide

Systemtic Name: (3R,4R)-3-(2-methoxy-5-methyl-phenyl)sulfonyl-4-piperidin-1-ium-1-yl-thiolane 1,1-dioxide Openeye Name: (3R,4R)-3-(2-methoxy-5-methyl-phenyl)sulfonyl-4-piperidin-1-ium-1-yl-thiolane 1,1-dioxide CAS Name: (3R,4R)-3-(2-methoxy-5-methylphenyl)sulfonyl-4-(1-piperidin-1-iumyl)thiolane 1,1-dioxide IUPAC Name: (3R,4R)-3-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidin-1-ium-1-ylthiolane 1,1-dioxide Traditional Name: (3R,4R)-3-(2-methoxy-5-methyl-phenyl)sulfonyl-4-piperidin-1-ium-1-yl-sulfolane Formula: C17H26NO5S2+ MolecularWeight: 388.52204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)C2CS(=O)(=O)CC2[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2[NH+]3CCCCC3

InChI

InChI=1S/C17H25NO5S2/c1-13-6-7-15(23-2)16(10-13)25(21,22)17-12-24(19,20)11-14(17)18-8-4-3-5-9-18/h6-7,10,14,17H,3-5,8-9,11-12H2,1-2H3/p+1/t14-,17+/m1/s1