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2-hydroxyethyl-dimethyl-(phenylmethyl)azanium bromide ethanoate

2-hydroxyethyl-dimethyl-(phenylmethyl)azanium bromide ethanoate

Systemtic Name:2-hydroxyethyl-dimethyl-(phenylmethyl)azanium bromide ethanoate
Openeye Name:benzyl-(2-hydroxyethyl)-dimethyl-ammonium acetate bromide
CAS Name:2-hydroxyethyl-dimethyl-(phenylmethyl)ammonium acetate bromide
IUPAC Name:benzyl-(2-hydroxyethyl)-dimethylazanium acetate bromide
Traditional Name:benzyl-(2-hydroxyethyl)-dimethyl-ammonium acetate bromide
Formula: C13H21BrNO3-
MolecularWeight: 319.21474
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C11H18NO.C2H4O2.BrH/c1-12(2,8-9-13)10-11-6-4-3-5-7-11;1-2(3)4;/h3-7,13H,8-10H2,1-2H3;1H3,(H,3,4);1H/q+1;;/p-2


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