3-ethyl-4-methyl-pentanoic acid; 8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octane; bromide

Systemtic Name: 3-ethyl-4-methyl-pentanoic acid; 8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octane; bromide Openeye Name: 3-ethyl-4-methyl-pentanoic acid; 8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane; bromide CAS Name: 3-ethyl-4-methylpentanoic acid; 8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octane; bromide IUPAC Name: 3-ethyl-4-methylpentanoic acid; 8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octane; bromide Traditional Name: 3-ethyl-4-methyl-valeric acid; 8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane; bromide Formula: C19H38BrNO2 MolecularWeight: 392.41452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H22N.C8H16O2.BrH/c1-9(2)12(3)10-5-4-6-11(12)8-7-10;1-4-7(6(2)3)5-8(9)10;/h9-11H,4-8H2,1-3H3;6-7H,4-5H2,1-3H3,(H,9,10);1H/q+1;;/p-1