2-methyldodecan-2-ylazanium; 2-(4-methylphenyl)ethanoate

Systemtic Name: 2-methyldodecan-2-ylazanium; 2-(4-methylphenyl)ethanoate Openeye Name: 1,1-dimethylundecylammonium; 2-(p-tolyl)acetate CAS Name: 2-methyldodecan-2-ylammonium; 2-(4-methylphenyl)acetate IUPAC Name: 2-methyldodecan-2-ylazanium; 2-(4-methylphenyl)acetate Traditional Name: 1,1-dimethylundecylammonium; 2-(p-tolyl)acetate Formula: C22H39NO2 MolecularWeight: 349.55056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)(C)[NH3+].CC1=CC=C(C=C1)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCC(C)(C)[NH3+].CC1=CC=C(C=C1)CC(=O)[O-]

InChI

InChI=1S/C13H29N.C9H10O2/c1-4-5-6-7-8-9-10-11-12-13(2,3)14;1-7-2-4-8(5-3-7)6-9(10)11/h4-12,14H2,1-3H3;2-5H,6H2,1H3,(H,10,11)