(Q27257930)

SCHEMBL42595 (English)

14 October 2016

chemical formula

C₄₂H₈₀ClNO₄

1 reference

SCHEMBL42595 (English)

14 October 2016

canonical SMILES

CCCCCCCCC=CCCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC.[Cl-]

1 reference

SCHEMBL42595 (English)

14 October 2016

isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Cl-]

1 reference

SCHEMBL42595 (English)

InChI=1S/C42H80NO4.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(44)46-39-40(38-43(3,4)5)47-42(45)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h20-23,40H,6-19,24-39H2,1-5H3;1H/q+1;/p-1/b22-20-,23-21-;

14 October 2016

Identifiers

InChI

1 reference

SCHEMBL42595 (English)

14 October 2016

1 reference

Global Substance Registration System

SCHEMBL42595 (English)

14 October 2016

1 reference

UNII

3R78UC794Z

dotap chloride (English)

14 October 2016

1 reference

N,N,N-Trimethyl-2,3-bis[(9Z)-9-octadecenoyloxy]-1-propanaminium chloride (English)

14 October 2016

2 references

SCHEMBL42595 (English)

matched by identifier from

14 October 2016

1 reference

matched by identifier from

CHEMBL133173 (English)

14 October 2016

2 references

inferred from InChIKey

Global Substance Registration System

1 reference

2 references

UNII

3R78UC794Z

dotap chloride (English)

matched by identifier from

14 October 2016