(2S)-3-[3-bromanyl-4-[2-(dimethylazaniumyl)ethoxy]phenyl]-2-phenyl-propanoate

Systemtic Name: (2S)-3-[3-bromanyl-4-[2-(dimethylazaniumyl)ethoxy]phenyl]-2-phenyl-propanoate Openeye Name: (2S)-3-[3-bromo-4-[2-(dimethylammonio)ethoxy]phenyl]-2-phenyl-propanoate CAS Name: (2S)-3-[3-bromo-4-[2-(dimethylammonio)ethoxy]phenyl]-2-phenylpropanoate IUPAC Name: (2S)-3-[3-bromo-4-[2-(dimethylazaniumyl)ethoxy]phenyl]-2-phenylpropanoate Traditional Name: (2S)-3-[3-bromo-4-[2-(dimethylammonio)ethoxy]phenyl]-2-phenyl-propionate Formula: C19H22BrNO3 MolecularWeight: 392.28688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1)CC(C2=CC=CC=C2)C(=O)[O-])Br

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1)C[C@@H](C2=CC=CC=C2)C(=O)[O-])Br

InChI

InChI=1S/C19H22BrNO3/c1-21(2)10-11-24-18-9-8-14(13-17(18)20)12-16(19(22)23)15-6-4-3-5-7-15/h3-9,13,16H,10-12H2,1-2H3,(H,22,23)/t16-/m0/s1