4-[8-[2-hydroxyethyl(methyl)amino]-4-oxidanyl-octan-3-yl]oxypiperidine-1-sulfonic acid

Systemtic Name: 4-[8-[2-hydroxyethyl(methyl)amino]-4-oxidanyl-octan-3-yl]oxypiperidine-1-sulfonic acid Openeye Name: 4-[1-ethyl-2-hydroxy-6-[2-hydroxyethyl(methyl)amino]hexoxy]piperidine-1-sulfonic acid CAS Name: 4-[4-hydroxy-8-[2-hydroxyethyl(methyl)amino]octan-3-yl]oxy-1-piperidinesulfonic acid IUPAC Name: 4-[4-hydroxy-8-[2-hydroxyethyl(methyl)amino]octan-3-yl]oxypiperidine-1-sulfonic acid Traditional Name: 4-[1-ethyl-2-hydroxy-6-[2-hydroxyethyl(methyl)amino]hexoxy]piperidine-1-sulfonic acid Formula: C16H34N2O6S MolecularWeight: 382.51596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCCCN(C)CCO)O)OC1CCN(CC1)S(=O)(=O)O

Isomeric SMILES

CCC(C(CCCCN(C)CCO)O)OC1CCN(CC1)S(=O)(=O)O

InChI

InChI=1S/C16H34N2O6S/c1-3-16(15(20)6-4-5-9-17(2)12-13-19)24-14-7-10-18(11-8-14)25(21,22)23/h14-16,19-20H,3-13H2,1-2H3,(H,21,22,23)