(2S)-3-[5-chloranyl-2-[2-(dimethylazaniumyl)ethoxy]phenyl]-2-phenyl-propanoate

Systemtic Name: (2S)-3-[5-chloranyl-2-[2-(dimethylazaniumyl)ethoxy]phenyl]-2-phenyl-propanoate Openeye Name: (2S)-3-[5-chloro-2-[2-(dimethylammonio)ethoxy]phenyl]-2-phenyl-propanoate CAS Name: (2S)-3-[5-chloro-2-[2-(dimethylammonio)ethoxy]phenyl]-2-phenylpropanoate IUPAC Name: (2S)-3-[5-chloro-2-[2-(dimethylazaniumyl)ethoxy]phenyl]-2-phenylpropanoate Traditional Name: (2S)-3-[5-chloro-2-[2-(dimethylammonio)ethoxy]phenyl]-2-phenyl-propionate Formula: C19H22ClNO3 MolecularWeight: 347.83588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO3/c1-21(2)10-11-24-18-9-8-16(20)12-15(18)13-17(19(22)23)14-6-4-3-5-7-14/h3-9,12,17H,10-11,13H2,1-2H3,(H,22,23)/t17-/m0/s1