6,8-bis(oxidanyl)tridecan-7-yl-(6-chloranyl-1-oxidanyl-hexyl)azanium bromide

Systemtic Name: 6,8-bis(oxidanyl)tridecan-7-yl-(6-chloranyl-1-oxidanyl-hexyl)azanium bromide Openeye Name: (6-chloro-1-hydroxy-hexyl)-[2-hydroxy-1-(1-hydroxyhexyl)heptyl]ammonium bromide CAS Name: (6-chloro-1-hydroxyhexyl)-(6,8-dihydroxytridecan-7-yl)ammonium bromide IUPAC Name: (6-chloro-1-hydroxyhexyl)-(6,8-dihydroxytridecan-7-yl)azanium bromide Traditional Name: (6-chloro-1-hydroxy-hexyl)-[2-hydroxy-1-(1-hydroxyhexyl)heptyl]ammonium bromide Formula: C19H41BrClNO3 MolecularWeight: 446.89074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C(CCCCC)O)[NH2+]C(CCCCCCl)O)O.[Br-]

Isomeric SMILES

CCCCCC(C(C(CCCCC)O)[NH2+]C(CCCCCCl)O)O.[Br-]

InChI

InChI=1S/C19H40ClNO3.BrH/c1-3-5-8-12-16(22)19(17(23)13-9-6-4-2)21-18(24)14-10-7-11-15-20;/h16-19,21-24H,3-15H2,1-2H3;1H