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

Systemtic Name: 6-(hydroxymethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxidanyl-pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]pyran-4-one Traditional Name: 3-hydroxy-6-methylol-2-[(4-methylpiperidin-1-ium-1-yl)methyl]pyran-4-one Formula: C13H20NO4+ MolecularWeight: 254.3022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C(=O)C=C(O2)CO)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C(=O)C=C(O2)CO)O

InChI

InChI=1S/C13H19NO4/c1-9-2-4-14(5-3-9)7-12-13(17)11(16)6-10(8-15)18-12/h6,9,15,17H,2-5,7-8H2,1H3/p+1