5-(hydroxymethyl)-2-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)pyran-4-one

Systemtic Name: 5-(hydroxymethyl)-2-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)pyran-4-one Openeye Name: 2-hydroxy-5-(hydroxymethyl)-3-(piperidin-1-ium-1-ylmethyl)pyran-4-one CAS Name: 2-hydroxy-5-(hydroxymethyl)-3-(1-piperidin-1-iumylmethyl)-4-pyranone IUPAC Name: 2-hydroxy-5-(hydroxymethyl)-3-(piperidin-1-ium-1-ylmethyl)pyran-4-one Traditional Name: 2-hydroxy-5-methylol-3-(piperidin-1-ium-1-ylmethyl)pyran-4-one Formula: C12H18NO4+ MolecularWeight: 240.27562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(OC=C(C2=O)CO)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(OC=C(C2=O)CO)O

InChI

InChI=1S/C12H17NO4/c14-7-9-8-17-12(16)10(11(9)15)6-13-4-2-1-3-5-13/h8,14,16H,1-7H2/p+1