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

Systemtic Name: methanol; (phenylmethyl) 4-oxa-1-azoniabicyclo[3.1.0]hexane-1-carboxylate Openeye Name: benzyl 4-oxa-1-azoniabicyclo[3.1.0]hexane-1-carboxylate; methanol CAS Name: methanol; 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; methanol Traditional Name: methanol; 4-oxa-1-azoniabicyclo[3.1.0]hexane-1-carboxylic acid benzyl ester Formula: C13H18NO4+ MolecularWeight: 252.28632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14NO3.CH4O/c14-12(13-6-7-15-11(13)8-13)16-9-10-4-2-1-3-5-10;1-2/h1-5,11H,6-9H2;2H,1H3/q+1;