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

Systemtic Name: 5-phenyl-2-(2-piperidin-1-ium-1-ylethyl)-1,3-dithiane 1,1,3,3-tetraoxide Openeye Name: 5-phenyl-2-(2-piperidin-1-ium-1-ylethyl)-1,3-dithiane 1,1,3,3-tetraoxide CAS Name: 5-phenyl-2-[2-(1-piperidin-1-iumyl)ethyl]-1,3-dithiane 1,1,3,3-tetraoxide IUPAC Name: 5-phenyl-2-(2-piperidin-1-ium-1-ylethyl)-1,3-dithiane 1,1,3,3-tetraoxide Traditional Name: 5-phenyl-2-(2-piperidin-1-ium-1-ylethyl)-1,3-dithiane 1,1,3,3-tetraoxide Formula: C17H26NO4S2+ MolecularWeight: 372.52264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC2S(=O)(=O)CC(CS2(=O)=O)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CCC2S(=O)(=O)CC(CS2(=O)=O)C3=CC=CC=C3

InChI

InChI=1S/C17H25NO4S2/c19-23(20)13-16(15-7-3-1-4-8-15)14-24(21,22)17(23)9-12-18-10-5-2-6-11-18/h1,3-4,7-8,16-17H,2,5-6,9-14H2/p+1