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

Systemtic Name: 8-cyclohexyl-8-methyl-8-azoniabicyclo[3.2.1]octane; 3-ethyl-4-methyl-pentanoic acid; bromide Openeye Name: 8-cyclohexyl-8-methyl-8-azoniabicyclo[3.2.1]octane; 3-ethyl-4-methyl-pentanoic acid; bromide CAS Name: 8-cyclohexyl-8-methyl-8-azoniabicyclo[3.2.1]octane; 3-ethyl-4-methylpentanoic acid; bromide IUPAC Name: 8-cyclohexyl-8-methyl-8-azoniabicyclo[3.2.1]octane; 3-ethyl-4-methylpentanoic acid; bromide Traditional Name: 8-cyclohexyl-8-methyl-8-azoniabicyclo[3.2.1]octane; 3-ethyl-4-methyl-valeric acid; bromide Formula: C22H42BrNO2 MolecularWeight: 432.47838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)O)C(C)C.C[N+]1(C2CCCC1CC2)C3CCCCC3.[Br-]

Isomeric SMILES

CCC(CC(=O)O)C(C)C.C[N+]1(C2CCCC1CC2)C3CCCCC3.[Br-]

InChI

InChI=1S/C14H26N.C8H16O2.BrH/c1-15(12-6-3-2-4-7-12)13-8-5-9-14(15)11-10-13;1-4-7(6(2)3)5-8(9)10;/h12-14H,2-11H2,1H3;6-7H,4-5H2,1-3H3,(H,9,10);1H/q+1;;/p-1