3-(dodecanoylamino)propyl-dimethyl-(2-oxidanyl-3-sulfo-propyl)azanium

Systemtic Name: 3-(dodecanoylamino)propyl-dimethyl-(2-oxidanyl-3-sulfo-propyl)azanium Openeye Name: 3-(dodecanoylamino)propyl-(2-hydroxy-3-sulfo-propyl)-dimethyl-ammonium CAS Name: (2-hydroxy-3-sulfopropyl)-dimethyl-[3-(1-oxododecylamino)propyl]ammonium IUPAC Name: 3-(dodecanoylamino)propyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium Traditional Name: (2-hydroxy-3-sulfo-propyl)-[3-(lauroylamino)propyl]-dimethyl-ammonium Formula: C20H43N2O5S+ MolecularWeight: 423.63082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H42N2O5S/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/h19,23H,4-18H2,1-3H3,(H-,21,24,25,26,27)/p+1