[(2R,3R)-3-[(3-cyanophenyl)methyl]-4-methoxy-4-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2R,3R)-3-[(3-cyanophenyl)methyl]-4-methoxy-4-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1R,2R)-2-[(3-cyanophenyl)methyl]-3-methoxy-1-methyl-3-oxo-propyl]ammonium CAS Name: [(2R,3R)-3-[(3-cyanophenyl)methyl]-4-methoxy-4-oxobutan-2-yl]ammonium IUPAC Name: [(2R,3R)-3-[(3-cyanophenyl)methyl]-4-methoxy-4-oxobutan-2-yl]azanium Traditional Name: [(1R,2R)-2-(3-cyanobenzyl)-3-keto-3-methoxy-1-methyl-propyl]ammonium Formula: C13H17N2O2+ MolecularWeight: 233.28628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC)[NH3+]

Isomeric SMILES

C[C@H]([C@@H](CC1=CC=CC(=C1)C#N)C(=O)OC)[NH3+]

InChI

InChI=1S/C13H16N2O2/c1-9(15)12(13(16)17-2)7-10-4-3-5-11(6-10)8-14/h3-6,9,12H,7,15H2,1-2H3/p+1/t9-,12-/m1/s1