3-[bis(2-hydroxyethyl)-methyl-azaniumyl]propyl-[3-[(3-dodecoxy-2-oxidanyl-propyl)-(2-hydroxyethyl)-methyl-azaniumyl]propyl]-(2-hydroxyethyl)-methyl-azanium; methyl sulfate

Systemtic Name: 3-[bis(2-hydroxyethyl)-methyl-azaniumyl]propyl-[3-[(3-dodecoxy-2-oxidanyl-propyl)-(2-hydroxyethyl)-methyl-azaniumyl]propyl]-(2-hydroxyethyl)-methyl-azanium; methyl sulfate Openeye Name: 3-[bis(2-hydroxyethyl)-methyl-ammonio]propyl-[3-[(3-dodecoxy-2-hydroxy-propyl)-(2-hydroxyethyl)-methyl-ammonio]propyl]-(2-hydroxyethyl)-methyl-ammonium; methyl sulfate CAS Name: 3-[bis(2-hydroxyethyl)-methylammonio]propyl-[3-[(3-dodecoxy-2-hydroxypropyl)-(2-hydroxyethyl)-methylammonio]propyl]-(2-hydroxyethyl)-methylammonium; methyl sulfate IUPAC Name: 3-[bis(2-hydroxyethyl)-methylazaniumyl]propyl-[3-[(3-dodecoxy-2-hydroxypropyl)-(2-hydroxyethyl)-methylazaniumyl]propyl]-(2-hydroxyethyl)-methylazanium; methyl sulfate Traditional Name: bis(2-hydroxyethyl)-[3-[2-hydroxyethyl-[3-[2-hydroxyethyl-(2-hydroxy-3-lauryloxy-propyl)-methyl-ammonio]propyl]-methyl-ammonio]propyl]-methyl-ammonium; methyl sulfate Formula: C33H75N3O10S+2 MolecularWeight: 706.0277

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCC(C[N+](C)(CCC[N+](C)(CCC[N+](C)(CCO)CCO)CCO)CCO)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOCC(C[N+](C)(CCC[N+](C)(CCC[N+](C)(CCO)CCO)CCO)CCO)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C32H72N3O6.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-29-41-31-32(40)30-35(4,24-28-39)20-16-18-33(2,21-25-36)17-15-19-34(3,22-26-37)23-27-38;1-5-6(2,3)4/h32,36-40H,5-31H2,1-4H3;1H3,(H,2,3,4)/q+3;/p-1