2-hydroxyethyl-methyl-bis(1-oxidanyl-1-oxidanylidene-undecan-3-yl)azanium; methyl sulfate

Systemtic Name: 2-hydroxyethyl-methyl-bis(1-oxidanyl-1-oxidanylidene-undecan-3-yl)azanium; methyl sulfate Openeye Name: bis[1-(carboxymethyl)nonyl]-(2-hydroxyethyl)-methyl-ammonium; methyl sulfate CAS Name: 2-hydroxyethyl-bis(1-hydroxy-1-oxoundecan-3-yl)-methylammonium; methyl sulfate IUPAC Name: 2-hydroxyethyl-bis(1-hydroxy-1-oxoundecan-3-yl)-methylazanium; methyl sulfate Traditional Name: bis[1-(carboxymethyl)nonyl]-(2-hydroxyethyl)-methyl-ammonium; methyl sulfate Formula: C26H53NO9S MolecularWeight: 555.76532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(=O)O)[N+](C)(CCO)C(CCCCCCCC)CC(=O)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCC(CC(=O)O)[N+](C)(CCO)C(CCCCCCCC)CC(=O)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C25H49NO5.CH4O4S/c1-4-6-8-10-12-14-16-22(20-24(28)29)26(3,18-19-27)23(21-25(30)31)17-15-13-11-9-7-5-2;1-5-6(2,3)4/h22-23,27H,4-21H2,1-3H3,(H-,28,29,30,31);1H3,(H,2,3,4)