2-(1-methylpiperidin-3-yl)-1-phosphono-ethanesulfonic acid

Systemtic Name: 2-(1-methylpiperidin-3-yl)-1-phosphono-ethanesulfonic acid Openeye Name: 2-(1-methyl-3-piperidyl)-1-phosphono-ethanesulfonic acid CAS Name: 2-(1-methyl-3-piperidinyl)-1-phosphonoethanesulfonic acid IUPAC Name: 2-(1-methylpiperidin-3-yl)-1-phosphonoethanesulfonic acid Traditional Name: 2-(1-methyl-3-piperidyl)-1-phosphono-ethanesulfonic acid Formula: C8H18NO6PS MolecularWeight: 287.270381

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)CC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CN1CCCC(C1)CC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C8H18NO6PS/c1-9-4-2-3-7(6-9)5-8(16(10,11)12)17(13,14)15/h7-8H,2-6H2,1H3,(H2,10,11,12)(H,13,14,15)