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CHEBI:61170 - metoclopramide(1+)

ChEBI IDCHEBI:61170
ChEBI Namemetoclopramide(1+)
Stars
DefinitionAn ammonium ion obtained by protonation of the tertiary amino group of metoclopramide.
Last Modified25 July 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H23ClN3O2
Net Charge+1
Average Mass300.810
Monoisotopic Mass300.14733
SMILESCC[NH+](CC)CCNC(=O)c1cc(Cl)c(N)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+1
InChIKeyTTWJBBZEZQICBI-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
metoclopramide(1+) (CHEBI:61170) is a ammonium ion derivative (CHEBI:35274)
metoclopramide(1+) (CHEBI:61170) is conjugate acid of metoclopramide (CHEBI:107736)
metoclopramide(1+) (CHEBI:61170) is conjugate base of metoclopramide(2+) (CHEBI:61172)
Incoming Relation(s)
metoclopramide hydrochloride (CHEBI:6899) has part metoclopramide(1+) (CHEBI:61170)
metoclopramide(2+) (CHEBI:61172) is conjugate acid of metoclopramide(1+) (CHEBI:61170)
metoclopramide (CHEBI:107736) is conjugate base of metoclopramide(1+) (CHEBI:61170)
IUPAC Name 
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanaminium