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1-hexadecyl-2,3,3-trimethyl-indol-1-ium bromide

1-hexadecyl-2,3,3-trimethyl-indol-1-ium bromide

Systemtic Name:1-hexadecyl-2,3,3-trimethyl-indol-1-ium bromide
Openeye Name:1-hexadecyl-2,3,3-trimethyl-indol-1-ium bromide
CAS Name:1-hexadecyl-2,3,3-trimethylindol-1-ium bromide
IUPAC Name:1-hexadecyl-2,3,3-trimethylindol-1-ium bromide
Traditional Name:1-cetyl-2,3,3-trimethyl-indol-1-ium bromide
Formula: C27H46BrN
MolecularWeight: 464.56484
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=C(C(C2=CC=CC=C21)(C)C)C.[Br-]


Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=C(C(C2=CC=CC=C21)(C)C)C.[Br-]


InChI

InChI=1S/C27H46N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-28-24(2)27(3,4)25-21-18-19-22-26(25)28;/h18-19,21-22H,5-17,20,23H2,1-4H3;1H/q+1;/p-1


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