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

Systemtic Name: 3-ethyl-4-methyl-pentanoic acid; 8-methyl-8-azoniabicyclo[3.2.1]octane; chloride Openeye Name: 3-ethyl-4-methyl-pentanoic acid; 8-methyl-8-azoniabicyclo[3.2.1]octane; chloride CAS Name: 3-ethyl-4-methylpentanoic acid; 8-methyl-8-azoniabicyclo[3.2.1]octane; chloride IUPAC Name: 3-ethyl-4-methylpentanoic acid; 8-methyl-8-azoniabicyclo[3.2.1]octane; chloride Traditional Name: 3-ethyl-4-methyl-valeric acid; 8-methyl-8-azoniabicyclo[3.2.1]octane; chloride Formula: C16H32ClNO2 MolecularWeight: 305.88378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)O)C(C)C.C[NH+]1C2CCCC1CC2.[Cl-]

Isomeric SMILES

CCC(CC(=O)O)C(C)C.C[NH+]1C2CCCC1CC2.[Cl-]

InChI

InChI=1S/C8H15N.C8H16O2.ClH/c1-9-7-3-2-4-8(9)6-5-7;1-4-7(6(2)3)5-8(9)10;/h7-8H,2-6H2,1H3;6-7H,4-5H2,1-3H3,(H,9,10);1H