(3R,4S)-3-(4-ethoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide

Systemtic Name: (3R,4S)-3-(4-ethoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide Openeye Name: (3R,4S)-3-(4-ethoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide CAS Name: (3R,4S)-3-(4-ethoxyphenyl)sulfonyl-4-(4-methyl-1-piperidin-1-iumyl)thiolane 1,1-dioxide IUPAC Name: (3R,4S)-3-(4-ethoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide Traditional Name: (3S,4R)-3-(4-methylpiperidin-1-ium-1-yl)-4-p-phenetylsulfonyl-sulfolane Formula: C18H28NO5S2+ MolecularWeight: 402.54862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)C2CS(=O)(=O)CC2[NH+]3CCC(CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH+]3CCC(CC3)C

InChI

InChI=1S/C18H27NO5S2/c1-3-24-15-4-6-16(7-5-15)26(22,23)18-13-25(20,21)12-17(18)19-10-8-14(2)9-11-19/h4-7,14,17-18H,3,8-13H2,1-2H3/p+1/t17-,18-/m0/s1