(Q27146940)

CHEBI:77408 (English)

8 October 2016

chemical formula

C₂₀H₂₂FN₂O⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C[NH+](C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F

1 reference

CHEBI:77408 (English)

InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/p+1

8 October 2016

Identifiers

InChI

1 reference

CHEBI:77408 (English)

WSEQXVZVJXJVFP-UHFFFAOYSA-O

8 October 2016

InChIKey

2 references

CHEBI:77408 (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-[(1S)-5-Cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethyl-1-propanaminium (English)

8 October 2016

1 reference

3-[5-Cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethyl-1-propanaminium (English)

8 October 2016

1 reference

CHEBI:77408 (English)

8 October 2016

ChEBI ID

77408

mapping relation type

1 reference