[2,3,4-tris(4-butyldecyl)phenyl]azanium bromide

Systemtic Name: [2,3,4-tris(4-butyldecyl)phenyl]azanium bromide Openeye Name: [2,3,4-tris(4-butyldecyl)phenyl]ammonium bromide CAS Name: [2,3,4-tris(4-butyldecyl)phenyl]ammonium bromide IUPAC Name: [2,3,4-tris(4-butyldecyl)phenyl]azanium bromide Traditional Name: [2,3,4-tris(4-butyldecyl)phenyl]ammonium bromide Formula: C48H92BrN MolecularWeight: 763.15478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)CCCC1=C(C(=C(C=C1)[NH3+])CCCC(CCCC)CCCCCC)CCCC(CCCC)CCCCCC.[Br-]

Isomeric SMILES

CCCCCCC(CCCC)CCCC1=C(C(=C(C=C1)[NH3+])CCCC(CCCC)CCCCCC)CCCC(CCCC)CCCCCC.[Br-]

InChI

InChI=1S/C48H91N.BrH/c1-7-13-19-22-31-42(28-16-10-4)34-25-37-45-40-41-48(49)47(39-27-36-44(30-18-12-6)33-24-21-15-9-3)46(45)38-26-35-43(29-17-11-5)32-23-20-14-8-2;/h40-44H,7-39,49H2,1-6H3;1H