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

Systemtic Name: (4-bromanyl-3-methyl-phenyl)-[(2S)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (4-bromo-3-methyl-phenyl)-[(1S)-2-(dimethylamino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: (4-bromo-3-methylphenyl)-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: (4-bromo-3-methylphenyl)-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]azanium Traditional Name: (4-bromo-3-methyl-phenyl)-[(1S)-2-(dimethylamino)-2-keto-1-methyl-ethyl]ammonium Formula: C12H18BrN2O+ MolecularWeight: 286.18812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN2O/c1-8-7-10(5-6-11(8)13)14-9(2)12(16)15(3)4/h5-7,9,14H,1-4H3/p+1/t9-/m0/s1