2-[4-[3-(2-chloranyl-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]ethanol dihydrochloride

Systemtic Name: 2-[4-[3-(2-chloranyl-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]ethanol dihydrochloride Openeye Name: 2-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]ethanol dihydrochloride CAS Name: 2-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]-1-piperazinyl]ethanol dihydrochloride IUPAC Name: 2-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]ethanol dihydrochloride Traditional Name: 2-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]piperazino]ethanol dihydrochloride Formula: C22H29Cl3N2OS MolecularWeight: 475.90246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCC2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl.Cl

InChI

InChI=1S/C22H27ClN2OS.2ClH/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26;;/h1-2,4,6-8,16,18,26H,3,5,9-15H2;2*1H