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

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-pyridin-2-yl-piperazin-1-ium chloride Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-(2-pyridyl)piperazin-1-ium chloride CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(2-pyridinyl)piperazin-1-ium chloride IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazin-1-ium chloride Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-4-(2-pyridyl)piperazin-1-ium chloride Formula: C24H28ClN3O2 MolecularWeight: 425.95102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=N3)OCC4=CC=CC=C4.[Cl-]

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=N3)OCC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C24H27N3O2.ClH/c1-28-23-17-21(10-11-22(23)29-19-20-7-3-2-4-8-20)18-26-13-15-27(16-14-26)24-9-5-6-12-25-24;/h2-12,17H,13-16,18-19H2,1H3;1H