(8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-propylpentanoate bromide

Systemtic Name: (8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-propylpentanoate bromide Openeye Name: (8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-propylpentanoate bromide CAS Name: 2-propylpentanoic acid (8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide IUPAC Name: (8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-propylpentanoate bromide Traditional Name: 2-propylvaleric acid (8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide Formula: C19H36BrNO2 MolecularWeight: 390.39864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H36NO2.BrH/c1-6-8-15(9-7-2)19(21)22-18-12-16-10-11-17(13-18)20(16,5)14(3)4;/h14-18H,6-13H2,1-5H3;1H/q+1;/p-1