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

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-phenyl-3-propanoyloxy-propanoate nitrate Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-phenyl-3-propanoyloxy-propanoate nitrate CAS Name: 3-(1-oxopropoxy)-2-phenylpropanoic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester nitrate IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-phenyl-3-propanoyloxypropanoate nitrate Traditional Name: 2-phenyl-3-propionyloxy-propionic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester nitrate Formula: C21H30N2O7 MolecularWeight: 422.4721

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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.[N+](=O)([O-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H30NO4.NO3/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;2-1(3)4/h5-9,16-19H,4,10-14H2,1-3H3;/q+1;-1