1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-yl-piperazin-1-ium chloride

Systemtic Name: 1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-yl-piperazin-1-ium chloride Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-4-(2-pyridyl)piperazin-1-ium chloride CAS Name: 1-[(3-phenylmethoxyphenyl)methyl]-4-(2-pyridinyl)piperazin-1-ium chloride IUPAC Name: 1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazin-1-ium chloride Traditional Name: 1-(3-benzoxybenzyl)-4-(2-pyridyl)piperazin-1-ium chloride Formula: C23H26ClN3O MolecularWeight: 395.92504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=N4.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=N4.[Cl-]

InChI

InChI=1S/C23H25N3O.ClH/c1-2-7-20(8-3-1)19-27-22-10-6-9-21(17-22)18-25-13-15-26(16-14-25)23-11-4-5-12-24-23;/h1-12,17H,13-16,18-19H2;1H