2-[1-[1-[4-(4-chlorophenyl)-1,3-dihydroisochromen-4-yl]propyl]piperazin-2-yl]-1,3-benzothiazole trihydrochloride

Systemtic Name: 2-[1-[1-[4-(4-chlorophenyl)-1,3-dihydroisochromen-4-yl]propyl]piperazin-2-yl]-1,3-benzothiazole trihydrochloride Openeye Name: 2-[1-[1-[4-(4-chlorophenyl)isochroman-4-yl]propyl]piperazin-2-yl]-1,3-benzothiazole trihydrochloride CAS Name: 2-[1-[1-[4-(4-chlorophenyl)-3,4-dihydro-1H-2-benzopyran-4-yl]propyl]-2-piperazinyl]-1,3-benzothiazole trihydrochloride IUPAC Name: 2-[1-[1-[4-(4-chlorophenyl)-1,3-dihydroisochromen-4-yl]propyl]piperazin-2-yl]-1,3-benzothiazole trihydrochloride Traditional Name: 2-[1-[1-[4-(4-chlorophenyl)isochroman-4-yl]propyl]piperazin-2-yl]-1,3-benzothiazole trihydrochloride Formula: C29H33Cl4N3OS MolecularWeight: 613.46882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1(COCC2=CC=CC=C21)C3=CC=C(C=C3)Cl)N4CCNCC4C5=NC6=CC=CC=C6S5.Cl.Cl.Cl

Isomeric SMILES

CCC(C1(COCC2=CC=CC=C21)C3=CC=C(C=C3)Cl)N4CCNCC4C5=NC6=CC=CC=C6S5.Cl.Cl.Cl

InChI

InChI=1S/C29H30ClN3OS.3ClH/c1-2-27(33-16-15-31-17-25(33)28-32-24-9-5-6-10-26(24)35-28)29(21-11-13-22(30)14-12-21)19-34-18-20-7-3-4-8-23(20)29;;;/h3-14,25,27,31H,2,15-19H2,1H3;3*1H