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

Systemtic Name: docosyl-dimethyl-(2-oxidanyl-3-sulfo-propyl)azanium Openeye Name: docosyl-(2-hydroxy-3-sulfo-propyl)-dimethyl-ammonium CAS Name: docosyl-(2-hydroxy-3-sulfopropyl)-dimethylammonium IUPAC Name: docosyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium Traditional Name: behenyl-(2-hydroxy-3-sulfo-propyl)-dimethyl-ammonium Formula: C27H58NO4S+ MolecularWeight: 492.81872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CC(CS(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CC(CS(=O)(=O)O)O

InChI

InChI=1S/C27H57NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(2,3)25-27(29)26-33(30,31)32/h27,29H,4-26H2,1-3H3/p+1