[(1S)-1-[2-[(2S)-2-ethylhexoxy]phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[2-[(2S)-2-ethylhexoxy]phenyl]ethyl]azanium Openeye Name: [(1S)-1-[2-[(2S)-2-ethylhexoxy]phenyl]ethyl]ammonium CAS Name: [(1S)-1-[2-[(2S)-2-ethylhexoxy]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-[(2S)-2-ethylhexoxy]phenyl]ethyl]azanium Traditional Name: [(1S)-1-[2-[(2S)-2-ethylhexoxy]phenyl]ethyl]ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=CC=CC=C1C(C)[NH3+]

Isomeric SMILES

CCCC[C@H](CC)COC1=CC=CC=C1[C@H](C)[NH3+]

InChI

InChI=1S/C16H27NO/c1-4-6-9-14(5-2)12-18-16-11-8-7-10-15(16)13(3)17/h7-8,10-11,13-14H,4-6,9,12,17H2,1-3H3/p+1/t13-,14-/m0/s1