2-[4-[3-(2-chloranylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol trihydrochloride

Systemtic Name: 2-[4-[3-(2-chloranylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol trihydrochloride Openeye Name: 2-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol trihydrochloride CAS Name: 2-[4-[3-(2-chloro-9-thioxanthenylidene)propyl]-1-piperazinyl]ethanol trihydrochloride IUPAC Name: 2-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol trihydrochloride Traditional Name: 2-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazino]ethanol trihydrochloride Formula: C22H28Cl4N2OS MolecularWeight: 510.34752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl.Cl.Cl

InChI

InChI=1S/C22H25ClN2OS.3ClH/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;;;/h1-2,4-8,16,26H,3,9-15H2;3*1H