4-[(3-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole hydrate tetrahydrochloride

Systemtic Name: 4-[(3-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole hydrate tetrahydrochloride Openeye Name: 4-[(3-chlorophenyl)methyl]-2-piperazin-1-yl-thiazole hydrate tetrahydrochloride CAS Name: 4-[(3-chlorophenyl)methyl]-2-(1-piperazinyl)thiazole hydrate tetrahydrochloride IUPAC Name: 4-[(3-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole hydrate tetrahydrochloride Traditional Name: 4-(3-chlorobenzyl)-2-piperazino-thiazole hydrate tetrahydrochloride Formula: C28H38Cl6N6OS2 MolecularWeight: 751.48892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC(=CS2)CC3=CC(=CC=C3)Cl.C1CN(CCN1)C2=NC(=CS2)CC3=CC(=CC=C3)Cl.O.Cl.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1)C2=NC(=CS2)CC3=CC(=CC=C3)Cl.C1CN(CCN1)C2=NC(=CS2)CC3=CC(=CC=C3)Cl.O.Cl.Cl.Cl.Cl

InChI

InChI=1S/2C14H16ClN3S.4ClH.H2O/c2*15-12-3-1-2-11(8-12)9-13-10-19-14(17-13)18-6-4-16-5-7-18;;;;;/h2*1-3,8,10,16H,4-7,9H2;4*1H;1H2