(4-bromanyl-3-methyl-phenyl)-[(2S)-1-(diethylamino)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: (4-bromanyl-3-methyl-phenyl)-[(2S)-1-(diethylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (4-bromo-3-methyl-phenyl)-[(1S)-2-(diethylamino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: (4-bromo-3-methylphenyl)-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: (4-bromo-3-methylphenyl)-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]azanium Traditional Name: (4-bromo-3-methyl-phenyl)-[(1S)-2-(diethylamino)-2-keto-1-methyl-ethyl]ammonium Formula: C14H22BrN2O+ MolecularWeight: 314.24128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C)[NH2+]C1=CC(=C(C=C1)Br)C

Isomeric SMILES

CCN(CC)C(=O)[C@H](C)[NH2+]C1=CC(=C(C=C1)Br)C

InChI

InChI=1S/C14H21BrN2O/c1-5-17(6-2)14(18)11(4)16-12-7-8-13(15)10(3)9-12/h7-9,11,16H,5-6H2,1-4H3/p+1/t11-/m0/s1