(2,3-dimethyl-4-phenyl-butan-2-yl)azanium; nonanoate

Systemtic Name: (2,3-dimethyl-4-phenyl-butan-2-yl)azanium; nonanoate Openeye Name: nonanoate; (1,1,2-trimethyl-3-phenyl-propyl)ammonium CAS Name: (2,3-dimethyl-4-phenylbutan-2-yl)ammonium; nonanoate IUPAC Name: (2,3-dimethyl-4-phenylbutan-2-yl)azanium; nonanoate Traditional Name: pelargonate; (1,1,2-trimethyl-3-phenyl-propyl)ammonium Formula: C21H37NO2 MolecularWeight: 335.52398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N.C9H18O2/c1-10(12(2,3)13)9-11-7-5-4-6-8-11;1-2-3-4-5-6-7-8-9(10)11/h4-8,10H,9,13H2,1-3H3;2-8H2,1H3,(H,10,11)