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

Systemtic Name: 3-[4-[3-(2-chloranyl-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]propan-1-ol dihydrochloride Openeye Name: 3-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]propan-1-ol dihydrochloride CAS Name: 3-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]-1-piperazinyl]-1-propanol dihydrochloride IUPAC Name: 3-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]propan-1-ol dihydrochloride Traditional Name: 3-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]piperazino]propan-1-ol dihydrochloride Formula: C23H31Cl3N2OS MolecularWeight: 489.92904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN2OS.2ClH/c24-18-8-9-23-21(17-18)19(20-5-1-2-7-22(20)28-23)6-3-10-25-12-14-26(15-13-25)11-4-16-27;;/h1-2,5,7-9,17,19,27H,3-4,6,10-16H2;2*1H