(Q27130866)

CHEBI:61177 (English)

7 October 2016

chemical formula

C₂₂H₂₇N₂O₂S⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C[NH+]1CCCC1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4

1 reference

CHEBI:61177 (English)

7 October 2016

isomeric SMILES

C[NH+]1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4

1 reference

CHEBI:61177 (English)

InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/p+1/t19-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:61177 (English)

PWVXXGRKLHYWKM-LJQANCHMSA-O

7 October 2016

InChIKey

2 references

CHEBI:61177 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R)-1-Methyl-2-({5-[2-(phenylsulfonyl)ethyl]-1H-indol-3-yl}methyl)pyrrolidinium (English)

7 October 2016

1 reference

CHEBI:61177 (English)

7 October 2016

ChEBI ID

61177

mapping relation type

1 reference