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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC=CC=C1C(C)[NH3+]

Isomeric SMILES

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

InChI

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