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

Systemtic Name: 5-[(4-chlorophenyl)methoxy]-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-4-one Openeye Name: 5-[(4-chlorophenyl)methoxy]-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-4-one CAS Name: 5-[(4-chlorophenyl)methoxy]-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-pyranone IUPAC Name: 5-[(4-chlorophenyl)methoxy]-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-4-one Traditional Name: 5-(4-chlorobenzyl)oxy-2-[(4-phenylpiperazin-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=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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