1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-4-pyridin-2-yl-piperazin-1-ium chloride

Systemtic Name: 1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-4-pyridin-2-yl-piperazin-1-ium chloride Openeye Name: 1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-4-(2-pyridyl)piperazin-1-ium chloride CAS Name: 1-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]-4-(2-pyridinyl)piperazin-1-ium chloride IUPAC Name: 1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-4-pyridin-2-ylpiperazin-1-ium chloride Traditional Name: 1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-4-(2-pyridyl)piperazin-1-ium chloride Formula: C26H28ClN3O2 MolecularWeight: 449.97242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2O1)C[NH+]3CCN(CC3)C4=CC=CC=N4)OC)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2O1)C[NH+]3CCN(CC3)C4=CC=CC=N4)OC)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C26H27N3O2.ClH/c1-19-26(20-8-4-3-5-9-20)22-17-23(30-2)21(16-24(22)31-19)18-28-12-14-29(15-13-28)25-10-6-7-11-27-25;/h3-11,16-17H,12-15,18H2,1-2H3;1H