[(2S)-4-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]phenyl]butan-2-yl]azanium

Systemtic Name: [(2S)-4-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]phenyl]butan-2-yl]azanium Openeye Name: [(1S)-3-[4-[2-(isopropylamino)-2-oxo-ethoxy]phenyl]-1-methyl-propyl]ammonium CAS Name: [(2S)-4-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]butan-2-yl]ammonium IUPAC Name: [(2S)-4-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]butan-2-yl]azanium Traditional Name: [(1S)-3-[4-[2-(isopropylamino)-2-keto-ethoxy]phenyl]-1-methyl-propyl]ammonium Formula: C15H25N2O2+ MolecularWeight: 265.3712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC1=CC=C(C=C1)CCC(C)[NH3+]

Isomeric SMILES

C[C@@H](CCC1=CC=C(C=C1)OCC(=O)NC(C)C)[NH3+]

InChI

InChI=1S/C15H24N2O2/c1-11(2)17-15(18)10-19-14-8-6-13(7-9-14)5-4-12(3)16/h6-9,11-12H,4-5,10,16H2,1-3H3,(H,17,18)/p+1/t12-/m0/s1