ethyl-dimethyl-(phenylmethyl)azanium; 2-ethylhexanoate

Systemtic Name: ethyl-dimethyl-(phenylmethyl)azanium; 2-ethylhexanoate Openeye Name: benzyl-ethyl-dimethyl-ammonium; 2-ethylhexanoate CAS Name: ethyl-dimethyl-(phenylmethyl)ammonium; 2-ethylhexanoate IUPAC Name: benzyl-ethyl-dimethylazanium; 2-ethylhexanoate Traditional Name: benzyl-ethyl-dimethyl-ammonium; 2-ethylhexanoate Formula: C19H33NO2 MolecularWeight: 307.47082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].CC[N+](C)(C)CC1=CC=CC=C1

Isomeric SMILES

CCCCC(CC)C(=O)[O-].CC[N+](C)(C)CC1=CC=CC=C1

InChI

InChI=1S/C11H18N.C8H16O2/c1-4-12(2,3)10-11-8-6-5-7-9-11;1-3-5-6-7(4-2)8(9)10/h5-9H,4,10H2,1-3H3;7H,3-6H2,1-2H3,(H,9,10)/q+1;/p-1