[3,5-dimethyl-4-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium

Systemtic Name: [3,5-dimethyl-4-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [3,5-dimethyl-4-[(1S)-1-methyl-2-(methylamino)-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [3,5-dimethyl-4-[(2S)-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3,5-dimethyl-4-[(2S)-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [4-[(1S)-2-keto-1-methyl-2-(methylamino)ethoxy]-3,5-dimethyl-benzyl]ammonium Formula: C13H21N2O2+ MolecularWeight: 237.31804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NC)C)C[NH3+]

Isomeric SMILES

CC1=CC(=CC(=C1O[C@@H](C)C(=O)NC)C)C[NH3+]

InChI

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