2-(hydroxymethyl)-2-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)propane-1,3-diol

Systemtic Name: 2-(hydroxymethyl)-2-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)propane-1,3-diol Openeye Name: 2-(hydroxymethyl)-2-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)propane-1,3-diol CAS Name: 2-(hydroxymethyl)-2-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)propane-1,3-diol IUPAC Name: 2-(hydroxymethyl)-2-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)propane-1,3-diol Traditional Name: 2-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-3-yl)-2-methylol-propane-1,3-diol Formula: C13H20NO5+ MolecularWeight: 270.3016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC[NH+](C2)C(CO)(CO)CO

Isomeric SMILES

COC1=CC2=C(C=C1)OC[NH+](C2)C(CO)(CO)CO

InChI

InChI=1S/C13H19NO5/c1-18-11-2-3-12-10(4-11)5-14(9-19-12)13(6-15,7-16)8-17/h2-4,15-17H,5-9H2,1H3/p+1