(2S)-3-[3-[3-(dimethylazaniumyl)propoxy]phenyl]-2-phenyl-propanoate

Systemtic Name: (2S)-3-[3-[3-(dimethylazaniumyl)propoxy]phenyl]-2-phenyl-propanoate Openeye Name: (2S)-3-[3-[3-(dimethylammonio)propoxy]phenyl]-2-phenyl-propanoate CAS Name: (2S)-3-[3-[3-(dimethylammonio)propoxy]phenyl]-2-phenylpropanoate IUPAC Name: (2S)-3-[3-[3-(dimethylazaniumyl)propoxy]phenyl]-2-phenylpropanoate Traditional Name: (2S)-3-[3-[3-(dimethylammonio)propoxy]phenyl]-2-phenyl-propionate Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=CC=CC(=C1)CC(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=CC=CC(=C1)C[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C20H25NO3/c1-21(2)12-7-13-24-18-11-6-8-16(14-18)15-19(20(22)23)17-9-4-3-5-10-17/h3-6,8-11,14,19H,7,12-13,15H2,1-2H3,(H,22,23)/t19-/m0/s1