[(2S)-2-bromanyl-3-(4-methylphenyl)-3-oxidanylidene-propyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-bromanyl-3-(4-methylphenyl)-3-oxidanylidene-propyl]-dimethyl-azanium Openeye Name: [(2S)-2-bromo-3-oxo-3-(p-tolyl)propyl]-dimethyl-ammonium CAS Name: [(2S)-2-bromo-3-(4-methylphenyl)-3-oxopropyl]-dimethylammonium IUPAC Name: [(2S)-2-bromo-3-(4-methylphenyl)-3-oxopropyl]-dimethylazanium Traditional Name: [(2S)-2-bromo-3-keto-3-(p-tolyl)propyl]-dimethyl-ammonium Formula: C12H17BrNO+ MolecularWeight: 271.17348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrNO/c1-9-4-6-10(7-5-9)12(15)11(13)8-14(2)3/h4-7,11H,8H2,1-3H3/p+1/t11-/m0/s1