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

Systemtic Name: [(2S)-4-[4-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]butan-2-yl]azanium Openeye Name: [(1S)-1-methyl-3-[4-[2-(methylamino)-2-oxo-ethoxy]phenyl]propyl]ammonium CAS Name: [(2S)-4-[4-[2-(methylamino)-2-oxoethoxy]phenyl]butan-2-yl]ammonium IUPAC Name: [(2S)-4-[4-[2-(methylamino)-2-oxoethoxy]phenyl]butan-2-yl]azanium Traditional Name: [(1S)-3-[4-[2-keto-2-(methylamino)ethoxy]phenyl]-1-methyl-propyl]ammonium Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2/c1-10(14)3-4-11-5-7-12(8-6-11)17-9-13(16)15-2/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16)/p+1/t10-/m0/s1