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

Systemtic Name: 4-[8-[ethyl(2-hydroxyethyl)amino]-4-oxidanyl-octan-3-yl]oxypiperidine-1-sulfonic acid Openeye Name: 4-[1-ethyl-6-[ethyl(2-hydroxyethyl)amino]-2-hydroxy-hexoxy]piperidine-1-sulfonic acid CAS Name: 4-[8-[ethyl(2-hydroxyethyl)amino]-4-hydroxyoctan-3-yl]oxy-1-piperidinesulfonic acid IUPAC Name: 4-[8-[ethyl(2-hydroxyethyl)amino]-4-hydroxyoctan-3-yl]oxypiperidine-1-sulfonic acid Traditional Name: 4-[1-ethyl-6-[ethyl(2-hydroxyethyl)amino]-2-hydroxy-hexoxy]piperidine-1-sulfonic acid Formula: C17H36N2O6S MolecularWeight: 396.54254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H36N2O6S/c1-3-17(16(21)7-5-6-10-18(4-2)13-14-20)25-15-8-11-19(12-9-15)26(22,23)24/h15-17,20-21H,3-14H2,1-2H3,(H,22,23,24)