[(1S)-1-[3-[[(2S)-2-ethylhexanoyl]amino]phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[3-[[(2S)-2-ethylhexanoyl]amino]phenyl]ethyl]azanium Openeye Name: [(1S)-1-[3-[[(2S)-2-ethylhexanoyl]amino]phenyl]ethyl]ammonium CAS Name: [(1S)-1-[3-[[(2S)-2-ethyl-1-oxohexyl]amino]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[3-[[(2S)-2-ethylhexanoyl]amino]phenyl]ethyl]azanium Traditional Name: [(1S)-1-[3-[[(2S)-2-ethylhexanoyl]amino]phenyl]ethyl]ammonium Formula: C16H27N2O+ MolecularWeight: 263.39838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O/c1-4-6-8-13(5-2)16(19)18-15-10-7-9-14(11-15)12(3)17/h7,9-13H,4-6,8,17H2,1-3H3,(H,18,19)/p+1/t12-,13-/m0/s1