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CHEBI:61172 - metoclopramide(2+)

ChEBI IDCHEBI:61172
ChEBI Namemetoclopramide(2+)
Stars
DefinitionAn ammonium ion that is obtained by protonation of both the tertiary amino group and the anilino nitrogen of metoclopramide.
Last Modified25 July 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H24ClN3O2
Net Charge+2
Average Mass301.818
Monoisotopic Mass301.15461
SMILESCC[NH+](CC)CCNC(=O)c1cc(Cl)c([NH3+])cc1OC
InChIInChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)/p+2
InChIKeyTTWJBBZEZQICBI-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
metoclopramide(2+) (CHEBI:61172) is a ammonium ion derivative (CHEBI:35274)
metoclopramide(2+) (CHEBI:61172) is conjugate acid of metoclopramide(1+) (CHEBI:61170)
Incoming Relation(s)
metoclopramide dihydrochloride monohydrate (CHEBI:60906) has part metoclopramide(2+) (CHEBI:61172)
metoclopramide(1+) (CHEBI:61170) is conjugate base of metoclopramide(2+) (CHEBI:61172)
IUPAC Name 
2-chloro-4-{[2-(diethylammonio)ethyl]carbamoyl}-5-methoxyanilinium