[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-pyran-2-yl]methyl]-methyl-ammonium CAS Name: [3-hydroxy-6-(hydroxymethyl)-4-oxo-2-pyranyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl]-methylazanium Traditional Name: benzyl-[(3-hydroxy-4-keto-6-methylol-pyran-2-yl)methyl]-methyl-ammonium Formula: C15H18NO4+ MolecularWeight: 276.30772

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C(=O)C=C(O2)CO)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C(=O)C=C(O2)CO)O

InChI

InChI=1S/C15H17NO4/c1-16(8-11-5-3-2-4-6-11)9-14-15(19)13(18)7-12(10-17)20-14/h2-7,17,19H,8-10H2,1H3/p+1