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1-hexyl-1-octadecyl-2,3-dihydroindol-1-ium ethanoate

1-hexyl-1-octadecyl-2,3-dihydroindol-1-ium ethanoate

Systemtic Name:1-hexyl-1-octadecyl-2,3-dihydroindol-1-ium ethanoate
Openeye Name:1-hexyl-1-octadecyl-indolin-1-ium acetate
CAS Name:1-hexyl-1-octadecyl-2,3-dihydroindol-1-ium acetate
IUPAC Name:1-hexyl-1-octadecyl-2,3-dihydroindol-1-ium acetate
Traditional Name:1-hexyl-1-stearyl-indolin-1-ium acetate
Formula: C34H61NO2
MolecularWeight: 515.85364
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(CCC2=CC=CC=C21)CCCCCC.CC(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(CCC2=CC=CC=C21)CCCCCC.CC(=O)[O-]


InChI

InChI=1S/C32H58N.C2H4O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-24-29-33(28-23-8-6-4-2)30-27-31-25-21-22-26-32(31)33;1-2(3)4/h21-22,25-26H,3-20,23-24,27-30H2,1-2H3;1H3,(H,3,4)/q+1;/p-1


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