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1-{8-Chloro-10-[(3E)-3-(hydroxyimino)butyl]-10,11-dihydrodibenzo[b,f]thiepin-1-yl}piperazin-1-ium chloride

ChemSpider ID: 7845007
Molecular Formula: C₂₂H₂₇Cl₂N₃OS
Monoisotopic mass: 451.125183 Da
Systematic name

1-{8-Chloro-10-[(3E)-3-(hydroxyimino)butyl]-10,11-dihydrodibenzo[b,f]thiepin-1-yl}piperazin-1-ium chloride
SMILES and InChIs

SMILES:

[Cl-].Clc4ccc3Sc1c(c(ccc1)[NH+]2CCNCC2)CC(c3c4)CCC(=N\O)\C Copied

Std. InChI:

InChI=1S/C22H26ClN3OS.ClH/c1-15(25-27)5-6-16-13-19-20(26-11-9-24-10-12-26)3-2-4-21(19)28-22-8-7-17(23)14-18(16)22;/h2-4,7-8,14,16,24,27H,5-6,9-13H2,1H3;1H/b25-15+; Copied

Std. InChIKey:

PJATWGOSGBAAOT-BUWMAIPZSA-N Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

2-BUTANONE, 4-(4-(8-CHLORO-10,11-DIHYDRODIBENZO(b,f)THIEPIN-10-YL)-1-PIPERAZINYL

34770-59-7 [RN]

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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