sodium 3-[2-heptyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-oxidanyl-propane-1-sulfonate hydroxide

Systemtic Name: sodium 3-[2-heptyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-oxidanyl-propane-1-sulfonate hydroxide Openeye Name: sodium 3-[2-heptyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-hydroxy-propane-1-sulfonate hydroxide CAS Name: sodium 3-[2-heptyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-hydroxy-1-propanesulfonate hydroxide IUPAC Name: sodium 3-[2-heptyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-hydroxypropane-1-sulfonate hydroxide Traditional Name: sodium 3-[2-heptyl-1-(2-hydroxyethyl)-2-imidazolin-1-ium-1-yl]-2-hydroxy-propane-1-sulfonate hydroxide Formula: C15H31N2NaO6S MolecularWeight: 390.47121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NCC[N+]1(CCO)CC(CS(=O)(=O)[O-])O.[OH-].[Na+]

Isomeric SMILES

CCCCCCCC1=NCC[N+]1(CCO)CC(CS(=O)(=O)[O-])O.[OH-].[Na+]

InChI

InChI=1S/C15H30N2O5S.Na.H2O/c1-2-3-4-5-6-7-15-16-8-9-17(15,10-11-18)12-14(19)13-23(20,21)22;;/h14,18-19H,2-13H2,1H3;;1H2/q;+1;/p-1