[4,5-bis(chloranyl)-1,3-bis(oxidanyl)octadecan-2-yl]-trimethyl-azanium

Systemtic Name: [4,5-bis(chloranyl)-1,3-bis(oxidanyl)octadecan-2-yl]-trimethyl-azanium Openeye Name: [3,4-dichloro-2-hydroxy-1-(hydroxymethyl)heptadecyl]-trimethyl-ammonium CAS Name: (4,5-dichloro-1,3-dihydroxyoctadecan-2-yl)-trimethylammonium IUPAC Name: (4,5-dichloro-1,3-dihydroxyoctadecan-2-yl)-trimethylazanium Traditional Name: (3,4-dichloro-2-hydroxy-1-methylol-heptadecyl)-trimethyl-ammonium Formula: C21H44Cl2NO2+ MolecularWeight: 413.48556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C(C(C(CO)[N+](C)(C)C)O)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCC(C(C(C(CO)[N+](C)(C)C)O)Cl)Cl

InChI

InChI=1S/C21H44Cl2NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-18(22)20(23)21(26)19(17-25)24(2,3)4/h18-21,25-26H,5-17H2,1-4H3/q+1