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4-(3-fluorophenyl)butyl-dioctyl-propan-2-yl-azanium ethanoate

4-(3-fluorophenyl)butyl-dioctyl-propan-2-yl-azanium ethanoate

Systemtic Name:4-(3-fluorophenyl)butyl-dioctyl-propan-2-yl-azanium ethanoate
Openeye Name:4-(3-fluorophenyl)butyl-isopropyl-dioctyl-ammonium acetate
CAS Name:4-(3-fluorophenyl)butyl-dioctyl-propan-2-ylammonium acetate
IUPAC Name:4-(3-fluorophenyl)butyl-dioctyl-propan-2-ylazanium acetate
Traditional Name:4-(3-fluorophenyl)butyl-isopropyl-dioctyl-ammonium acetate
Formula: C31H56FNO2
MolecularWeight: 493.780243
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCCCCCCC)(CCCCC1=CC(=CC=C1)F)C(C)C.CC(=O)[O-]


Isomeric SMILES

CCCCCCCC[N+](CCCCCCCC)(CCCCC1=CC(=CC=C1)F)C(C)C.CC(=O)[O-]


InChI

InChI=1S/C29H53FN.C2H4O2/c1-5-7-9-11-13-16-23-31(27(3)4,24-17-14-12-10-8-6-2)25-18-15-20-28-21-19-22-29(30)26-28;1-2(3)4/h19,21-22,26-27H,5-18,20,23-25H2,1-4H3;1H3,(H,3,4)/q+1;/p-1


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