2-[dimethyl(1-oxidanylpentadecan-3-yl)azaniumyl]-2-(2-hydroxyethyl)-5-sulfo-pentanoate

Systemtic Name: 2-[dimethyl(1-oxidanylpentadecan-3-yl)azaniumyl]-2-(2-hydroxyethyl)-5-sulfo-pentanoate Openeye Name: 2-(2-hydroxyethyl)-2-[1-(2-hydroxyethyl)tridecyl-dimethyl-ammonio]-5-sulfo-pentanoate CAS Name: 2-(2-hydroxyethyl)-2-[1-hydroxypentadecan-3-yl(dimethyl)ammonio]-5-sulfopentanoate IUPAC Name: 2-(2-hydroxyethyl)-2-[1-hydroxypentadecan-3-yl(dimethyl)azaniumyl]-5-sulfopentanoate Traditional Name: 2-(2-hydroxyethyl)-2-[1-(2-hydroxyethyl)tridecyl-dimethyl-ammonio]-5-sulfo-valerate Formula: C24H49NO7S MolecularWeight: 495.71336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCO)[N+](C)(C)C(CCCS(=O)(=O)O)(CCO)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC(CCO)[N+](C)(C)C(CCCS(=O)(=O)O)(CCO)C(=O)[O-]

InChI

InChI=1S/C24H49NO7S/c1-4-5-6-7-8-9-10-11-12-13-15-22(16-19-26)25(2,3)24(18-20-27,23(28)29)17-14-21-33(30,31)32/h22,26-27H,4-21H2,1-3H3,(H-,28,29,30,31,32)