2-[6-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-pyran-3-yl]oxyethanoate

Systemtic Name: 2-[6-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-pyran-3-yl]oxyethanoate Openeye Name: 2-[6-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxo-pyran-3-yl]oxyacetate CAS Name: 2-[[6-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-oxo-3-pyranyl]oxy]acetate IUPAC Name: 2-[6-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxopyran-3-yl]oxyacetate Traditional Name: 2-[6-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-keto-pyran-3-yl]oxyacetate Formula: C18H19ClN2O5 MolecularWeight: 378.80686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O5/c19-13-2-1-3-14(8-13)21-6-4-20(5-7-21)10-15-9-16(22)17(11-25-15)26-12-18(23)24/h1-3,8-9,11H,4-7,10,12H2,(H,23,24)