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

Systemtic Name: 8-butyl-8-methyl-8-azoniabicyclo[3.2.1]octane; 3-ethyl-4-methyl-pentanoic acid; bromide Openeye Name: 8-butyl-8-methyl-8-azoniabicyclo[3.2.1]octane; 3-ethyl-4-methyl-pentanoic acid; bromide CAS Name: 8-butyl-8-methyl-8-azoniabicyclo[3.2.1]octane; 3-ethyl-4-methylpentanoic acid; bromide IUPAC Name: 8-butyl-8-methyl-8-azoniabicyclo[3.2.1]octane; 3-ethyl-4-methylpentanoic acid; bromide Traditional Name: 8-butyl-8-methyl-8-azoniabicyclo[3.2.1]octane; 3-ethyl-4-methyl-valeric acid; bromide Formula: C20H40BrNO2 MolecularWeight: 406.4411

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H24N.C8H16O2.BrH/c1-3-4-10-13(2)11-6-5-7-12(13)9-8-11;1-4-7(6(2)3)5-8(9)10;/h11-12H,3-10H2,1-2H3;6-7H,4-5H2,1-3H3,(H,9,10);1H/q+1;;/p-1