6-[3-(4-phenylpiperazin-1-yl)propoxy]-1H-benzimidazole trihydrate trihydrochloride

Systemtic Name: 6-[3-(4-phenylpiperazin-1-yl)propoxy]-1H-benzimidazole trihydrate trihydrochloride Openeye Name: 6-[3-(4-phenylpiperazin-1-yl)propoxy]-1H-benzimidazole trihydrate trihydrochloride CAS Name: 6-[3-(4-phenyl-1-piperazinyl)propoxy]-1H-benzimidazole trihydrate trihydrochloride IUPAC Name: 6-[3-(4-phenylpiperazin-1-yl)propoxy]-1H-benzimidazole trihydrate trihydrochloride Traditional Name: 6-[3-(4-phenylpiperazino)propoxy]-1H-benzimidazole trihydrate trihydrochloride Formula: C20H33Cl3N4O4 MolecularWeight: 499.85942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC3=C(C=C2)N=CN3)C4=CC=CC=C4.O.O.O.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCOC2=CC3=C(C=C2)N=CN3)C4=CC=CC=C4.O.O.O.Cl.Cl.Cl

InChI

InChI=1S/C20H24N4O.3ClH.3H2O/c1-2-5-17(6-3-1)24-12-10-23(11-13-24)9-4-14-25-18-7-8-19-20(15-18)22-16-21-19;;;;;;/h1-3,5-8,15-16H,4,9-14H2,(H,21,22);3*1H;3*1H2