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

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-prop-2-ynoxy-pyran-4-one Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-prop-2-ynoxy-pyran-4-one CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-5-prop-2-ynoxy-4-pyranone IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-prop-2-ynoxypyran-4-one Traditional Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-propargyloxy-pyran-4-one Formula: C19H20ClN2O3+ MolecularWeight: 359.8267

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=COC(=CC1=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C#CCOC1=COC(=CC1=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H19ClN2O3/c1-2-10-24-19-14-25-17(12-18(19)23)13-21-6-8-22(9-7-21)16-5-3-4-15(20)11-16/h1,3-5,11-12,14H,6-10,13H2/p+1