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

Systemtic Name: [(2S)-4-[4-[2-(2-methylpropylamino)-2-oxidanylidene-ethoxy]phenyl]butan-2-yl]azanium Openeye Name: [(1S)-3-[4-[2-(isobutylamino)-2-oxo-ethoxy]phenyl]-1-methyl-propyl]ammonium CAS Name: [(2S)-4-[4-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]butan-2-yl]ammonium IUPAC Name: [(2S)-4-[4-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]butan-2-yl]azanium Traditional Name: [(1S)-3-[4-[2-(isobutylamino)-2-keto-ethoxy]phenyl]-1-methyl-propyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-12(2)10-18-16(19)11-20-15-8-6-14(7-9-15)5-4-13(3)17/h6-9,12-13H,4-5,10-11,17H2,1-3H3,(H,18,19)/p+1/t13-/m0/s1