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

Systemtic Name: 6-(hydroxymethyl)-3-oxidanyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-4-one Traditional Name: 3-hydroxy-6-methylol-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-4-one Formula: C17H21N2O4+ MolecularWeight: 317.35964

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c20-12-14-10-15(21)17(22)16(23-14)11-18-6-8-19(9-7-18)13-4-2-1-3-5-13/h1-5,10,20,22H,6-9,11-12H2/p+1