dimethyl-[(3-methylphenyl)methyl]-(2-oxidanylbutyl)azanium; 2-ethylhexanoate

Systemtic Name: dimethyl-[(3-methylphenyl)methyl]-(2-oxidanylbutyl)azanium; 2-ethylhexanoate Openeye Name: 2-ethylhexanoate; 2-hydroxybutyl-dimethyl-(m-tolylmethyl)ammonium CAS Name: 2-ethylhexanoate; 2-hydroxybutyl-dimethyl-[(3-methylphenyl)methyl]ammonium IUPAC Name: 2-ethylhexanoate; 2-hydroxybutyl-dimethyl-[(3-methylphenyl)methyl]azanium Traditional Name: 2-ethylhexanoate; 2-hydroxybutyl-dimethyl-(3-methylbenzyl)ammonium Formula: C22H39NO3 MolecularWeight: 365.54996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24NO.C8H16O2/c1-5-14(16)11-15(3,4)10-13-8-6-7-12(2)9-13;1-3-5-6-7(4-2)8(9)10/h6-9,14,16H,5,10-11H2,1-4H3;7H,3-6H2,1-2H3,(H,9,10)/q+1;/p-1