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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2(COCC3=CC=CC=C32)C4=CC=C(C=C4)Cl)C5=NC6=CC=CC=C6S5.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCC2(COCC3=CC=CC=C32)C4=CC=C(C=C4)Cl)C5=NC6=CC=CC=C6S5.Cl.Cl.Cl

InChI

InChI=1S/C29H30ClN3OS.3ClH/c30-24-12-10-23(11-13-24)29(21-34-20-22-6-1-2-7-25(22)29)14-5-15-32-16-18-33(19-17-32)28-31-26-8-3-4-9-27(26)35-28;;;/h1-4,6-13H,5,14-21H2;3*1H