6-(hydroxymethyl)-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-oxidanyl-pyran-4-one

Systemtic Name: 6-(hydroxymethyl)-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-oxidanyl-pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]pyran-4-one Traditional Name: 3-hydroxy-6-methylol-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]pyran-4-one Formula: C12H20N2O4+2 MolecularWeight: 256.2982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(C(=O)C=C(O2)CO)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(C(=O)C=C(O2)CO)O

InChI

InChI=1S/C12H18N2O4/c1-13-2-4-14(5-3-13)7-11-12(17)10(16)6-9(8-15)18-11/h6,15,17H,2-5,7-8H2,1H3/p+2