1-[(6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-4-phenyl-piperazine hydrate dihydrochloride

Systemtic Name: 1-[(6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-4-phenyl-piperazine hydrate dihydrochloride Openeye Name: 1-[(6-methoxy-3-phenyl-benzofuran-2-yl)methyl]-4-phenyl-piperazine hydrate dihydrochloride CAS Name: 1-[(6-methoxy-3-phenyl-2-benzofuranyl)methyl]-4-phenylpiperazine hydrate dihydrochloride IUPAC Name: 1-[(6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-4-phenylpiperazine hydrate dihydrochloride Traditional Name: 1-[(6-methoxy-3-phenyl-benzofuran-2-yl)methyl]-4-phenyl-piperazine hydrate dihydrochloride Formula: C26H30Cl2N2O3 MolecularWeight: 489.434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(O2)CN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5.O.Cl.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(O2)CN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5.O.Cl.Cl

InChI

InChI=1S/C26H26N2O2.2ClH.H2O/c1-29-22-12-13-23-24(18-22)30-25(26(23)20-8-4-2-5-9-20)19-27-14-16-28(17-15-27)21-10-6-3-7-11-21;;;/h2-13,18H,14-17,19H2,1H3;2*1H;1H2