6-(hydroxymethyl)-2-[[methyl-(phenylmethyl)azaniumyl]methyl]-4-oxidanylidene-pyran-3-olate

Systemtic Name: 6-(hydroxymethyl)-2-[[methyl-(phenylmethyl)azaniumyl]methyl]-4-oxidanylidene-pyran-3-olate Openeye Name: 2-[[benzyl(methyl)ammonio]methyl]-6-(hydroxymethyl)-4-oxo-pyran-3-olate CAS Name: 6-(hydroxymethyl)-2-[[methyl-(phenylmethyl)ammonio]methyl]-4-oxo-3-pyranolate IUPAC Name: 2-[[benzyl(methyl)azaniumyl]methyl]-6-(hydroxymethyl)-4-oxopyran-3-olate Traditional Name: 2-[[benzyl(methyl)ammonio]methyl]-4-keto-6-methylol-pyran-3-olate Formula: C15H17NO4 MolecularWeight: 275.29978

Click to see the large picture

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