(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-propylpentanoate bromide

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-propylpentanoate bromide Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-propylpentanoate bromide CAS Name: 2-propylpentanoic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-propylpentanoate bromide Traditional Name: 2-propylvaleric acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide Formula: C17H32BrNO2 MolecularWeight: 362.34548

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)OC1CC2CCC(C1)[N+]2(C)C.[Br-]

Isomeric SMILES

CCCC(CCC)C(=O)OC1CC2CCC(C1)[N+]2(C)C.[Br-]

InChI

InChI=1S/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1