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

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-oxidanyl-pyran-4-one Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-hydroxy-pyran-4-one CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-5-hydroxy-4-pyranone IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-hydroxypyran-4-one Traditional Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-hydroxy-pyran-4-one Formula: C16H18ClN2O3+ MolecularWeight: 321.77872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O3/c17-12-2-1-3-13(8-12)19-6-4-18(5-7-19)10-14-9-15(20)16(21)11-22-14/h1-3,8-9,11,21H,4-7,10H2/p+1