[(2S)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl]-(4-phenoxyphenyl)azanium

Systemtic Name: [(2S)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl]-(4-phenoxyphenyl)azanium Openeye Name: [(1S)-2-(dimethylamino)-1-methyl-2-oxo-ethyl]-(4-phenoxyphenyl)ammonium CAS Name: [(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-(4-phenoxyphenyl)ammonium IUPAC Name: [(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-(4-phenoxyphenyl)azanium Traditional Name: [(1S)-2-(dimethylamino)-2-keto-1-methyl-ethyl]-(4-phenoxyphenyl)ammonium Formula: C17H21N2O2+ MolecularWeight: 285.36084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)[NH2+]C1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)N(C)C)[NH2+]C1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O2/c1-13(17(20)19(2)3)18-14-9-11-16(12-10-14)21-15-7-5-4-6-8-15/h4-13,18H,1-3H3/p+1/t13-/m0/s1