dimethyl-bis[5-oxidanyl-4-(2-pentoxyethyl)nonadecyl]azanium chloride

Systemtic Name: dimethyl-bis[5-oxidanyl-4-(2-pentoxyethyl)nonadecyl]azanium chloride Openeye Name: bis[5-hydroxy-4-(2-pentoxyethyl)nonadecyl]-dimethyl-ammonium chloride CAS Name: bis[5-hydroxy-4-(2-pentoxyethyl)nonadecyl]-dimethylammonium chloride IUPAC Name: bis[5-hydroxy-4-(2-pentoxyethyl)nonadecyl]-dimethylazanium chloride Traditional Name: bis[4-(2-amoxyethyl)-5-hydroxy-nonadecyl]-dimethyl-ammonium chloride Formula: C54H112ClNO4 MolecularWeight: 874.92438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(CCC[N+](C)(C)CCCC(CCOCCCCC)C(CCCCCCCCCCCCCC)O)CCOCCCCC)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCC(C(CCC[N+](C)(C)CCCC(CCOCCCCC)C(CCCCCCCCCCCCCC)O)CCOCCCCC)O.[Cl-]

InChI

InChI=1S/C54H112NO4.ClH/c1-7-11-15-17-19-21-23-25-27-29-31-33-41-53(56)51(43-49-58-47-35-13-9-3)39-37-45-55(5,6)46-38-40-52(44-50-59-48-36-14-10-4)54(57)42-34-32-30-28-26-24-22-20-18-16-12-8-2;/h51-54,56-57H,7-50H2,1-6H3;1H/q+1;/p-1