(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-phenyl-3-propanoyloxy-propanoate

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-phenyl-3-propanoyloxy-propanoate Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-phenyl-3-propanoyloxy-propanoate CAS Name: 3-(1-oxopropoxy)-2-phenylpropanoic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-phenyl-3-propanoyloxypropanoate Traditional Name: 2-phenyl-3-propionyloxy-propionic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester Formula: C21H30NO4+ MolecularWeight: 360.4672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)[N+]3(C)C

Isomeric SMILES

CCC(=O)OCC(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)[N+]3(C)C

InChI

InChI=1S/C21H30NO4/c1-4-20(23)25-14-19(15-8-6-5-7-9-15)21(24)26-18-12-16-10-11-17(13-18)22(16,2)3/h5-9,16-19H,4,10-14H2,1-3H3/q+1