[(1S)-1-[3-(pentanoylamino)phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[3-(pentanoylamino)phenyl]ethyl]azanium Openeye Name: [(1S)-1-[3-(pentanoylamino)phenyl]ethyl]ammonium CAS Name: [(1S)-1-[3-(1-oxopentylamino)phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[3-(pentanoylamino)phenyl]ethyl]azanium Traditional Name: [(1S)-1-[3-(valerylamino)phenyl]ethyl]ammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=CC(=C1)C(C)[NH3+]

Isomeric SMILES

CCCCC(=O)NC1=CC=CC(=C1)[C@H](C)[NH3+]

InChI

InChI=1S/C13H20N2O/c1-3-4-8-13(16)15-12-7-5-6-11(9-12)10(2)14/h5-7,9-10H,3-4,8,14H2,1-2H3,(H,15,16)/p+1/t10-/m0/s1