[4-[[(2S)-2-ethylhexanoyl]amino]phenyl]methylazanium

Systemtic Name: [4-[[(2S)-2-ethylhexanoyl]amino]phenyl]methylazanium Openeye Name: [4-[[(2S)-2-ethylhexanoyl]amino]phenyl]methylammonium CAS Name: [4-[[(2S)-2-ethyl-1-oxohexyl]amino]phenyl]methylammonium IUPAC Name: [4-[[(2S)-2-ethylhexanoyl]amino]phenyl]methylazanium Traditional Name: [4-[[(2S)-2-ethylhexanoyl]amino]benzyl]ammonium Formula: C15H25N2O+ MolecularWeight: 249.3718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O/c1-3-5-6-13(4-2)15(18)17-14-9-7-12(11-16)8-10-14/h7-10,13H,3-6,11,16H2,1-2H3,(H,17,18)/p+1/t13-/m0/s1