CHEBI:188145 - (2R,3R)-nemonapride(1+)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (2R,3R)-nemonapride(1+)
ChEBI ID CHEBI:188145
ChEBI ASCII Name (2R,3R)-nemonapride(1+)
Stars This entity has been manually annotated by a third party.
Submitter Elisabeth COUDERT
Supplier Information
Download Molfile XML SDF
Formula C21H27ClN3O2
Net Charge +1
Average Mass 388.920
Monoisotopic Mass 388.17863
InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/p+1/t14-,18-/m1/s1
InChIKey KRVOJOCLBAAKSJ-RDTXWAMCSA-O
SMILES C(=O)(C1=C(C=C(C(=C1)Cl)NC)OC)N[C@H]2[C@H]([NH+](CC2)CC3=CC=CC=C3)C
ChEBI Ontology
Outgoing (2R,3R)-nemonapride(1+) (CHEBI:188145) is a organic molecular entity (CHEBI:50860)
(2R,3R)-nemonapride(1+) (CHEBI:188145) is conjugate acid of (2R,3R)-nemonapride (CHEBI:64219)
Incoming (2R,3R)-nemonapride (CHEBI:64219) is conjugate base of (2R,3R)-nemonapride(1+) (CHEBI:188145)
Synonym Source
(2R,3R)-nemonapride UniProt