[(2R)-4-ethoxy-4-oxidanylidene-butan-2-yl]-(phenylmethyl)azanium

Systemtic Name: [(2R)-4-ethoxy-4-oxidanylidene-butan-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1R)-3-ethoxy-1-methyl-3-oxo-propyl]ammonium CAS Name: [(2R)-4-ethoxy-4-oxobutan-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2R)-4-ethoxy-4-oxobutan-2-yl]azanium Traditional Name: benzyl-[(1R)-3-ethoxy-3-keto-1-methyl-propyl]ammonium Formula: C13H20NO2+ MolecularWeight: 222.3034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)[NH2+]CC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C[C@@H](C)[NH2+]CC1=CC=CC=C1

InChI

InChI=1S/C13H19NO2/c1-3-16-13(15)9-11(2)14-10-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3/p+1/t11-/m1/s1