2-[4-[(3E)-3-(3-iodanylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol dihydrochloride

Systemtic Name: 2-[4-[(3E)-3-(3-iodanylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol dihydrochloride Openeye Name: 2-[4-[(3E)-3-(3-iodothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol dihydrochloride CAS Name: 2-[4-[(3E)-3-(3-iodo-9-thioxanthenylidene)propyl]-1-piperazinyl]ethanol dihydrochloride IUPAC Name: 2-[4-[(3E)-3-(3-iodothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol dihydrochloride Traditional Name: 2-[4-[(3E)-3-(3-iodothioxanthen-9-ylidene)propyl]piperazino]ethanol dihydrochloride Formula: C22H27Cl2IN2OS MolecularWeight: 565.33805

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC=C2C3=C(C=C(C=C3)I)SC4=CC=CC=C42)CCO.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC/C=C\2/C3=C(C=C(C=C3)I)SC4=CC=CC=C42)CCO.Cl.Cl

InChI

InChI=1S/C22H25IN2OS.2ClH/c23-17-7-8-20-18(19-4-1-2-6-21(19)27-22(20)16-17)5-3-9-24-10-12-25(13-11-24)14-15-26;;/h1-2,4-8,16,26H,3,9-15H2;2*1H/b18-5+;;