sodium 3-[3-(dodecanoylamino)propyl-dimethyl-azaniumyl]-2-oxidanidyl-propane-1-sulfonate

Systemtic Name: sodium 3-[3-(dodecanoylamino)propyl-dimethyl-azaniumyl]-2-oxidanidyl-propane-1-sulfonate Openeye Name: sodium 3-[3-(dodecanoylamino)propyl-dimethyl-ammonio]-2-oxido-propane-1-sulfonate CAS Name: sodium 3-[dimethyl-[3-(1-oxododecylamino)propyl]ammonio]-2-oxido-1-propanesulfonate IUPAC Name: sodium 3-[3-(dodecanoylamino)propyl-dimethylazaniumyl]-2-oxidopropane-1-sulfonate Traditional Name: sodium 3-[3-(lauroylamino)propyl-dimethyl-ammonio]-2-oxido-propane-1-sulfonate Formula: C20H41N2NaO5S MolecularWeight: 444.60471

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)[O-])[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)[O-])[O-].[Na+]

InChI

InChI=1S/C20H42N2O5S.Na/c1-4-5-6-7-8-9-10-11-12-14-20(24)21-15-13-16-22(2,3)17-19(23)18-28(25,26)27;/h19H,4-18H2,1-3H3,(H,21,24)(H,25,26,27);/q;+1/p-1