2-(azepan-1-ylmethyl)-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one

Systemtic Name: 2-(azepan-1-ylmethyl)-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one Openeye Name: 2-(azepan-1-ylmethyl)-3-hydroxy-6-(hydroxymethyl)pyran-4-one CAS Name: 2-(1-azepanylmethyl)-3-hydroxy-6-(hydroxymethyl)-4-pyranone IUPAC Name: 2-(azepan-1-ylmethyl)-3-hydroxy-6-(hydroxymethyl)pyran-4-one Traditional Name: 2-(azepan-1-ylmethyl)-3-hydroxy-6-methylol-pyran-4-one Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C(=O)C=C(O2)CO)O

Isomeric SMILES

C1CCCN(CC1)CC2=C(C(=O)C=C(O2)CO)O

InChI

InChI=1S/C13H19NO4/c15-9-10-7-11(16)13(17)12(18-10)8-14-5-3-1-2-4-6-14/h7,15,17H,1-6,8-9H2