5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,3-dithiane 1,1,3,3-tetraoxide

Systemtic Name: 5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,3-dithiane 1,1,3,3-tetraoxide Openeye Name: 5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,3-dithiane 1,1,3,3-tetraoxide CAS Name: 5-phenyl-2-(1-piperidin-1-iumylmethyl)-1,3-dithiane 1,1,3,3-tetraoxide IUPAC Name: 5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,3-dithiane 1,1,3,3-tetraoxide Traditional Name: 5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,3-dithiane 1,1,3,3-tetraoxide Formula: C16H24NO4S2+ MolecularWeight: 358.49606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2S(=O)(=O)CC(CS2(=O)=O)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CC2S(=O)(=O)CC(CS2(=O)=O)C3=CC=CC=C3

InChI

InChI=1S/C16H23NO4S2/c18-22(19)12-15(14-7-3-1-4-8-14)13-23(20,21)16(22)11-17-9-5-2-6-10-17/h1,3-4,7-8,15-16H,2,5-6,9-13H2/p+1