hydrodolasetron N-oxide (Q27282883)

(1S,3S,5R)-10-Hydroxy-8-oxido-8-azatricyclo[5.3.1.0~3,8~]undec-5-yl 1H-indole-3-carboxylate (English)

14 October 2016

chemical formula

C₁₉H₂₂N₂O₄

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)OC3CC4CC5CC(C3)[N+]4(CC5O)[O-]

1 reference

hydrodolasetron N-oxide (English)

14 October 2016

isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)O[C@@H]3C[C@@H]4C[C@H]5CC(C3)[N+]4(CC5O)[O-]

1 reference

hydrodolasetron N-oxide (English)

InChI=1S/C19H22N2O4/c22-18-10-21(24)12-5-11(18)6-13(21)8-14(7-12)25-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,18,20,22H,5-8,10H2/t11-,12-,13?,14+,18?,21?/m0/s1

14 October 2016

Identifiers

InChI

1 reference

hydrodolasetron N-oxide (English)

HISIYQCTEKKZGZ-XHVQUZORSA-N

14 October 2016

InChIKey

1 reference

hydrodolasetron N-oxide (English)

14 October 2016

1 reference

hydrodolasetron N-oxide (English)

14 October 2016

1 reference

(1S,3S,5R)-10-Hydroxy-8-oxido-8-azatricyclo[5.3.1.0~3,8~]undec-5-yl 1H-indole-3-carboxylate (English)

14 October 2016

1 reference

hydrodolasetron N-oxide (English)