dimethyl-oxidanyl-propan-2-yl-azanium; 2-ethylhexanoate

Systemtic Name: dimethyl-oxidanyl-propan-2-yl-azanium; 2-ethylhexanoate Openeye Name: 2-ethylhexanoate; hydroxy-isopropyl-dimethyl-ammonium CAS Name: 2-ethylhexanoate; hydroxy-dimethyl-propan-2-ylammonium IUPAC Name: 2-ethylhexanoate; hydroxy-dimethyl-propan-2-ylazanium Traditional Name: 2-ethylhexanoate; hydroxy-isopropyl-dimethyl-ammonium Formula: C13H29NO3 MolecularWeight: 247.37426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16O2.C5H14NO/c1-3-5-6-7(4-2)8(9)10;1-5(2)6(3,4)7/h7H,3-6H2,1-2H3,(H,9,10);5,7H,1-4H3/q;+1/p-1