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

Systemtic Name: 1-heptyl-2,3,3-trimethyl-indol-1-ium bromide Openeye Name: 1-heptyl-2,3,3-trimethyl-indol-1-ium bromide CAS Name: 1-heptyl-2,3,3-trimethylindol-1-ium bromide IUPAC Name: 1-heptyl-2,3,3-trimethylindol-1-ium bromide Traditional Name: 1-heptyl-2,3,3-trimethyl-indol-1-ium bromide Formula: C18H28BrN MolecularWeight: 338.32562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N.BrH/c1-5-6-7-8-11-14-19-15(2)18(3,4)16-12-9-10-13-17(16)19;/h9-10,12-13H,5-8,11,14H2,1-4H3;1H/q+1;/p-1