hexyl(methyl)azanium; 4-methylbenzoate

Systemtic Name: hexyl(methyl)azanium; 4-methylbenzoate Openeye Name: hexyl(methyl)ammonium; 4-methylbenzoate CAS Name: hexyl(methyl)ammonium; 4-methylbenzoate IUPAC Name: hexyl(methyl)azanium; 4-methylbenzoate Traditional Name: hexyl(methyl)ammonium; 4-methylbenzoate Formula: C15H25NO2 MolecularWeight: 251.3645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]C.CC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCCCC[NH2+]C.CC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C8H8O2.C7H17N/c1-6-2-4-7(5-3-6)8(9)10;1-3-4-5-6-7-8-2/h2-5H,1H3,(H,9,10);8H,3-7H2,1-2H3