(phenylmethyl) 2-(2-methylpropyl)-7-oxa-1-azoniabicyclo[2.2.1]heptane-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(2-methylpropyl)-7-oxa-1-azoniabicyclo[2.2.1]heptane-1-carboxylate Openeye Name: benzyl 2-isobutyl-7-oxa-1-azoniabicyclo[2.2.1]heptane-1-carboxylate CAS Name: 2-(2-methylpropyl)-7-oxa-1-azoniabicyclo[2.2.1]heptane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-methylpropyl)-7-oxa-1-azoniabicyclo[2.2.1]heptane-1-carboxylate Traditional Name: 2-isobutyl-7-oxa-1-azoniabicyclo[2.2.1]heptane-1-carboxylic acid benzyl ester Formula: C17H24NO3+ MolecularWeight: 290.37736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CC2CC[N+]1(O2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1CC2CC[N+]1(O2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H24NO3/c1-13(2)10-15-11-16-8-9-18(15,21-16)17(19)20-12-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3/q+1