[(1S)-3-ethoxy-1-(4-ethylphenyl)-3-oxidanylidene-propyl]azanium

Systemtic Name: [(1S)-3-ethoxy-1-(4-ethylphenyl)-3-oxidanylidene-propyl]azanium Openeye Name: [(1S)-3-ethoxy-1-(4-ethylphenyl)-3-oxo-propyl]ammonium CAS Name: [(1S)-3-ethoxy-1-(4-ethylphenyl)-3-oxopropyl]ammonium IUPAC Name: [(1S)-3-ethoxy-1-(4-ethylphenyl)-3-oxopropyl]azanium Traditional Name: [(1S)-3-ethoxy-1-(4-ethylphenyl)-3-keto-propyl]ammonium Formula: C13H20NO2+ MolecularWeight: 222.3034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CC(=O)OCC)[NH3+]

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CC(=O)OCC)[NH3+]

InChI

InChI=1S/C13H19NO2/c1-3-10-5-7-11(8-6-10)12(14)9-13(15)16-4-2/h5-8,12H,3-4,9,14H2,1-2H3/p+1/t12-/m0/s1