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

Systemtic Name: 5-[(3-chlorophenyl)methoxy]-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-[(3-chlorophenyl)methoxy]pyran-4-one CAS Name: 5-[(3-chlorophenyl)methoxy]-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-pyranone IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-[(3-chlorophenyl)methoxy]pyran-4-one Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-(3-chlorobenzyl)oxy-pyran-4-one Formula: C24H26ClN2O3+ MolecularWeight: 425.92784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC3=CC(=CC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC3=CC(=CC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C24H25ClN2O3/c25-21-8-4-7-20(13-21)17-30-24-18-29-22(14-23(24)28)16-27-11-9-26(10-12-27)15-19-5-2-1-3-6-19/h1-8,13-14,18H,9-12,15-17H2/p+1