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CHEBI:64214 - sertraline(1+)

ChEBI IDCHEBI:64214
ChEBI Namesertraline(1+)
Stars
DefinitionAn ammonium ion resulting from the protonation of the amino group of sertraline.
Last Modified19 March 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H18Cl2N
Net Charge+1
Average Mass307.244
Monoisotopic Mass306.08108
SMILES[H][C@@]1(c2ccc(Cl)c(Cl)c2)CC[C@H]([NH2+]C)c2ccccc21
InChIInChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/p+1/t12-,17-/m0/s1
InChIKeyVGKDLMBJGBXTGI-SJCJKPOMSA-O
ChEBI Ontology
Outgoing Relation(s)
sertraline(1+) (CHEBI:64214) is a ammonium ion derivative (CHEBI:35274)
sertraline(1+) (CHEBI:64214) is a organic cation (CHEBI:25697)
sertraline(1+) (CHEBI:64214) is conjugate acid of sertraline (CHEBI:9123)
Incoming Relation(s)
sertraline hydrochloride (CHEBI:9124) has part sertraline(1+) (CHEBI:64214)
sertraline (CHEBI:9123) is conjugate base of sertraline(1+) (CHEBI:64214)
IUPAC Name 
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-aminium