(1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)-dimethyl-(phenylmethyl)azanium bromide

Systemtic Name: (1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)-dimethyl-(phenylmethyl)azanium bromide Openeye Name: [2-amino-1-(hydroxymethyl)-2-oxo-ethyl]-benzyl-dimethyl-ammonium bromide CAS Name: (1-amino-3-hydroxy-1-oxopropan-2-yl)-dimethyl-(phenylmethyl)ammonium bromide IUPAC Name: (1-amino-3-hydroxy-1-oxopropan-2-yl)-benzyl-dimethylazanium bromide Traditional Name: (2-amino-2-keto-1-methylol-ethyl)-benzyl-dimethyl-ammonium bromide Formula: C12H19BrN2O2 MolecularWeight: 303.19546

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=CC=CC=C1)C(CO)C(=O)N.[Br-]

Isomeric SMILES

C[N+](C)(CC1=CC=CC=C1)C(CO)C(=O)N.[Br-]

InChI

InChI=1S/C12H18N2O2.BrH/c1-14(2,11(9-15)12(13)16)8-10-6-4-3-5-7-10;/h3-7,11,15H,8-9H2,1-2H3,(H-,13,16);1H