2-ethylhexanoate; 1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-ol

Systemtic Name: 2-ethylhexanoate; 1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-ol Openeye Name: 1-benzylquinuclidin-1-ium-3-ol; 2-ethylhexanoate CAS Name: 2-ethylhexanoate; 1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-ol IUPAC Name: 1-benzyl-1-azoniabicyclo[2.2.2]octan-3-ol; 2-ethylhexanoate Traditional Name: 1-benzylquinuclidin-1-ium-3-ol; 2-ethylhexanoate Formula: C22H35NO3 MolecularWeight: 361.5182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].C1C[N+]2(CCC1C(C2)O)CC3=CC=CC=C3

Isomeric SMILES

CCCCC(CC)C(=O)[O-].C1C[N+]2(CCC1C(C2)O)CC3=CC=CC=C3

InChI

InChI=1S/C14H20NO.C8H16O2/c16-14-11-15(8-6-13(14)7-9-15)10-12-4-2-1-3-5-12;1-3-5-6-7(4-2)8(9)10/h1-5,13-14,16H,6-11H2;7H,3-6H2,1-2H3,(H,9,10)/q+1;/p-1