[(1S)-1-[3-methoxy-4-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[3-methoxy-4-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]ethyl]azanium Openeye Name: [(1S)-1-[3-methoxy-4-[(1S)-1-methyl-2-(methylamino)-2-oxo-ethoxy]phenyl]ethyl]ammonium CAS Name: [(1S)-1-[3-methoxy-4-[(2S)-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[3-methoxy-4-[(2S)-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]ethyl]azanium Traditional Name: [(1S)-1-[4-[(1S)-2-keto-1-methyl-2-(methylamino)ethoxy]-3-methoxy-phenyl]ethyl]ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3/c1-8(14)10-5-6-11(12(7-10)17-4)18-9(2)13(16)15-3/h5-9H,14H2,1-4H3,(H,15,16)/p+1/t8-,9-/m0/s1