8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octane; 3-ethyl-4-methyl-pentanoic acid; bromide

Systemtic Name: 8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octane; 3-ethyl-4-methyl-pentanoic acid; bromide Openeye Name: 8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octane; 3-ethyl-4-methyl-pentanoic acid; bromide CAS Name: 8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octane; 3-ethyl-4-methylpentanoic acid; bromide IUPAC Name: 8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octane; 3-ethyl-4-methylpentanoic acid; bromide Traditional Name: 8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octane; 3-ethyl-4-methyl-valeric acid; bromide Formula: C18H36BrNO2 MolecularWeight: 378.38794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)O)C(C)C.CC[N+]1(C2CCCC1CC2)C.[Br-]

Isomeric SMILES

CCC(CC(=O)O)C(C)C.CC[N+]1(C2CCCC1CC2)C.[Br-]

InChI

InChI=1S/C10H20N.C8H16O2.BrH/c1-3-11(2)9-5-4-6-10(11)8-7-9;1-4-7(6(2)3)5-8(9)10;/h9-10H,3-8H2,1-2H3;6-7H,4-5H2,1-3H3,(H,9,10);1H/q+1;;/p-1