[3-ethoxy-4-[(2R)-1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH3+])OC(C)C(=O)NC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH3+])O[C@H](C)C(=O)NC

InChI

InChI=1S/C13H20N2O3/c1-4-17-12-7-10(8-14)5-6-11(12)18-9(2)13(16)15-3/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)/p+1/t9-/m1/s1