2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-3-hydroxy-6-(hydroxymethyl)-4-pyranone IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one Traditional Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-hydroxy-6-methylol-pyran-4-one Formula: C17H20ClN2O4+ MolecularWeight: 351.8047

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C(=O)C=C(O2)CO)O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C(=O)C=C(O2)CO)O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H19ClN2O4/c18-12-2-1-3-13(8-12)20-6-4-19(5-7-20)10-16-17(23)15(22)9-14(11-21)24-16/h1-3,8-9,21,23H,4-7,10-11H2/p+1