methanoic acid; (phenylmethyl) 4-oxa-1-azoniabicyclo[3.1.0]hexane-1-carboxylate

Systemtic Name: methanoic acid; (phenylmethyl) 4-oxa-1-azoniabicyclo[3.1.0]hexane-1-carboxylate Openeye Name: benzyl 4-oxa-1-azoniabicyclo[3.1.0]hexane-1-carboxylate; formic acid CAS Name: formic acid; 4-oxa-1-azoniabicyclo[3.1.0]hexane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-oxa-1-azoniabicyclo[3.1.0]hexane-1-carboxylate; formic acid Traditional Name: formic acid; 4-oxa-1-azoniabicyclo[3.1.0]hexane-1-carboxylic acid benzyl ester Formula: C13H16NO5+ MolecularWeight: 266.26984

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2[N+]1(C2)C(=O)OCC3=CC=CC=C3.C(=O)O

Isomeric SMILES

C1COC2[N+]1(C2)C(=O)OCC3=CC=CC=C3.C(=O)O

InChI

InChI=1S/C12H14NO3.CH2O2/c14-12(13-6-7-15-11(13)8-13)16-9-10-4-2-1-3-5-10;2-1-3/h1-5,11H,6-9H2;1H,(H,2,3)/q+1;