2-hydroxyethyl-methyl-bis[5-oxidanyl-4-(2-propoxyethyl)tridecyl]azanium chloride

Systemtic Name: 2-hydroxyethyl-methyl-bis[5-oxidanyl-4-(2-propoxyethyl)tridecyl]azanium chloride Openeye Name: 2-hydroxyethyl-bis[5-hydroxy-4-(2-propoxyethyl)tridecyl]-methyl-ammonium chloride CAS Name: 2-hydroxyethyl-bis[5-hydroxy-4-(2-propoxyethyl)tridecyl]-methylammonium chloride IUPAC Name: 2-hydroxyethyl-bis[5-hydroxy-4-(2-propoxyethyl)tridecyl]-methylazanium chloride Traditional Name: 2-hydroxyethyl-bis[5-hydroxy-4-(2-propoxyethyl)tridecyl]-methyl-ammonium chloride Formula: C39H82ClNO5 MolecularWeight: 680.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCC[N+](C)(CCCC(CCOCCC)C(CCCCCCCC)O)CCO)CCOCCC)O.[Cl-]

Isomeric SMILES

CCCCCCCCC(C(CCC[N+](C)(CCCC(CCOCCC)C(CCCCCCCC)O)CCO)CCOCCC)O.[Cl-]

InChI

InChI=1S/C39H82NO5.ClH/c1-6-10-12-14-16-18-24-38(42)36(26-34-44-32-8-3)22-20-28-40(5,30-31-41)29-21-23-37(27-35-45-33-9-4)39(43)25-19-17-15-13-11-7-2;/h36-39,41-43H,6-35H2,1-5H3;1H/q+1;/p-1