ethyl-tris[5-oxidanyl-4-(2-pentoxyethyl)heptadecyl]azanium chloride

Systemtic Name: ethyl-tris[5-oxidanyl-4-(2-pentoxyethyl)heptadecyl]azanium chloride Openeye Name: ethyl-tris[5-hydroxy-4-(2-pentoxyethyl)heptadecyl]ammonium chloride CAS Name: ethyl-tris[5-hydroxy-4-(2-pentoxyethyl)heptadecyl]ammonium chloride IUPAC Name: ethyl-tris[5-hydroxy-4-(2-pentoxyethyl)heptadecyl]azanium chloride Traditional Name: tris[4-(2-amoxyethyl)-5-hydroxy-heptadecyl]-ethyl-ammonium chloride Formula: C74H152ClNO6 MolecularWeight: 1187.45478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(CCC[N+](CC)(CCCC(CCOCCCCC)C(CCCCCCCCCCCC)O)CCCC(CCOCCCCC)C(CCCCCCCCCCCC)O)CCOCCCCC)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC(C(CCC[N+](CC)(CCCC(CCOCCCCC)C(CCCCCCCCCCCC)O)CCCC(CCOCCCCC)C(CCCCCCCCCCCC)O)CCOCCCCC)O.[Cl-]

InChI

InChI=1S/C74H152NO6.ClH/c1-8-15-21-24-27-30-33-36-39-42-54-72(76)69(57-66-79-63-45-18-11-4)51-48-60-75(14-7,61-49-52-70(58-67-80-64-46-19-12-5)73(77)55-43-40-37-34-31-28-25-22-16-9-2)62-50-53-71(59-68-81-65-47-20-13-6)74(78)56-44-41-38-35-32-29-26-23-17-10-3;/h69-74,76-78H,8-68H2,1-7H3;1H/q+1;/p-1