2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenylmethoxy-pyran-4-one

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenylmethoxy-pyran-4-one Openeye Name: 5-benzyloxy-2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-5-phenylmethoxy-4-pyranone IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenylmethoxypyran-4-one Traditional Name: 5-benzoxy-2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Formula: C23H24ClN2O3+ MolecularWeight: 411.90126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H23ClN2O3/c24-19-7-4-8-20(13-19)26-11-9-25(10-12-26)15-21-14-22(27)23(17-28-21)29-16-18-5-2-1-3-6-18/h1-8,13-14,17H,9-12,15-16H2/p+1