dimethyl-[3-(octadecanoylamino)propyl]-(2-oxidanyl-3-sulfo-propyl)azanium hydroxide

Systemtic Name: dimethyl-[3-(octadecanoylamino)propyl]-(2-oxidanyl-3-sulfo-propyl)azanium hydroxide Openeye Name: (2-hydroxy-3-sulfo-propyl)-dimethyl-[3-(octadecanoylamino)propyl]ammonium hydroxide CAS Name: (2-hydroxy-3-sulfopropyl)-dimethyl-[3-(1-oxooctadecylamino)propyl]ammonium hydroxide IUPAC Name: (2-hydroxy-3-sulfopropyl)-dimethyl-[3-(octadecanoylamino)propyl]azanium hydroxide Traditional Name: (2-hydroxy-3-sulfo-propyl)-dimethyl-(3-stearamidopropyl)ammonium hydroxide Formula: C26H56N2O6S MolecularWeight: 524.79764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O.[OH-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O.[OH-]

InChI

InChI=1S/C26H54N2O5S.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26(30)27-21-19-22-28(2,3)23-25(29)24-34(31,32)33;/h25,29H,4-24H2,1-3H3,(H-,27,30,31,32,33);1H2