laurdimoniumhydroxypropyl cetylglucoside chloride (Q27293410)

Hexadecyl 6-O-{3-[dodecyl(dimethyl)ammonio]-2-hydroxypropyl}-beta-D-glucopyranoside chloride (English)

14 October 2016

chemical formula

C₃₉H₈₀ClNO₇

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCCOC1C(C(C(C(O1)COCC(C[N+](C)(C)CCCCCCCCCCCC)O)O)O)O.[Cl-]

1 reference

laurdimoniumhydroxypropyl cetylglucoside chloride (English)

14 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC(C[N+](C)(C)CCCCCCCCCCCC)O)O)O)O.[Cl-]

1 reference

laurdimoniumhydroxypropyl cetylglucoside chloride (English)

InChI=1S/C39H80NO7.ClH/c1-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-46-39-38(44)37(43)36(42)35(47-39)33-45-32-34(41)31-40(3,4)29-27-25-23-21-16-14-12-10-8-6-2;/h34-39,41-44H,5-33H2,1-4H3;1H/q+1;/p-1/t34?,35-,36-,37+,38-,39-;/m1./s1

14 October 2016

Identifiers

InChI

1 reference

laurdimoniumhydroxypropyl cetylglucoside chloride (English)

BQOTZISEVZXCAI-MJVHGWAASA-M

14 October 2016

InChIKey

1 reference

laurdimoniumhydroxypropyl cetylglucoside chloride (English)

14 October 2016

1 reference

matched by identifier from

Hexadecyl 6-O-{3-[dodecyl(dimethyl)ammonio]-2-hydroxypropyl}-beta-D-glucopyranoside chloride (English)

14 October 2016

2 references

26 December 2021

InChIKey

BQOTZISEVZXCAI-MJVHGWAASA-M

1 reference

2 references

laurdimoniumhydroxypropyl cetylglucoside chloride (English)