2-[(2S)-2-azaniumyl-3-phenyl-propanoyl]oxyethyl-trimethyl-azanium dibromide

Systemtic Name: 2-[(2S)-2-azaniumyl-3-phenyl-propanoyl]oxyethyl-trimethyl-azanium dibromide Openeye Name: 2-[(2S)-2-azaniumyl-3-phenyl-propanoyl]oxyethyl-trimethyl-ammonium dibromide CAS Name: 2-[(2S)-2-ammonio-1-oxo-3-phenylpropoxy]ethyl-trimethylammonium dibromide IUPAC Name: 2-[(2S)-2-azaniumyl-3-phenylpropanoyl]oxyethyl-trimethylazanium dibromide Traditional Name: 2-[(2S)-2-ammonio-3-phenyl-propanoyl]oxyethyl-trimethyl-ammonium dibromide Formula: C14H24Br2N2O2 MolecularWeight: 412.16056

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)C(CC1=CC=CC=C1)[NH3+].[Br-].[Br-]

Isomeric SMILES

C[N+](C)(C)CCOC(=O)[C@H](CC1=CC=CC=C1)[NH3+].[Br-].[Br-]

InChI

InChI=1S/C14H23N2O2.2BrH/c1-16(2,3)9-10-18-14(17)13(15)11-12-7-5-4-6-8-12;;/h4-8,13H,9-11,15H2,1-3H3;2*1H/q+1;;/p-1/t13-;;/m0../s1