CHEBI:64214 - sertraline(1+)

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ChEBI Name sertraline(1+) ChEBI ID CHEBI:64214 Definition An ammonium ion resulting from the protonation of the amino group of sertraline. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H18Cl2N Net Charge +1 Average Mass 307.23800 Monoisotopic Mass 306.08108 InChI InChI=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 InChIKey VGKDLMBJGBXTGI-SJCJKPOMSA-O SMILES [H][C@]1(CC[C@H]([NH2+]C)c2ccccc12)c1ccc(Cl)c(Cl)c1 ChEBI Ontology Outgoing 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 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 Last Modified 19 March 2012