ciclotropium bromide (Q27291915)

(8r)-3a-Hydroxy-8-isopropyl-1aH,5aH-tropanium bromide a-Phenylcyclopentaneacetate (English)

14 October 2016

chemical formula

C₂₄H₃₆BrNO₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)C4CCCC4)C.[Br-]

1 reference

ciclotropium bromide (English)

14 October 2016

isomeric SMILES

CC(C)[N+]1([C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(C3=CC=CC=C3)C4CCCC4)C.[Br-]

1 reference

ciclotropium bromide (English)

InChI=1S/C24H36NO2.BrH/c1-17(2)25(3)20-13-14-21(25)16-22(15-20)27-24(26)23(19-11-7-8-12-19)18-9-5-4-6-10-18;/h4-6,9-10,17,19-23H,7-8,11-16H2,1-3H3;1H/q+1;/p-1/t20-,21+,22+,23?,25?;

14 October 2016

Identifiers

InChI

1 reference

ciclotropium bromide (English)

WEUHJSOYWODZCN-ZHRHLSBQSA-M

14 October 2016

InChIKey

1 reference

ciclotropium bromide (English)

14 October 2016

1 reference

ciclotropium bromide (English)

14 October 2016

1 reference

(8r)-3a-Hydroxy-8-isopropyl-1aH,5aH-tropanium bromide a-Phenylcyclopentaneacetate (English)

14 October 2016

2 references

ciclotropium bromide (English)