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

Systemtic Name: (2S)-3-[2-[3-(dimethylazaniumyl)propoxy]phenyl]-2-phenyl-propanoate Openeye Name: (2S)-3-[2-[3-(dimethylammonio)propoxy]phenyl]-2-phenyl-propanoate CAS Name: (2S)-3-[2-[3-(dimethylammonio)propoxy]phenyl]-2-phenylpropanoate IUPAC Name: (2S)-3-[2-[3-(dimethylazaniumyl)propoxy]phenyl]-2-phenylpropanoate Traditional Name: (2S)-3-[2-[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=C1CC(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=CC=CC=C1C[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C20H25NO3/c1-21(2)13-8-14-24-19-12-7-6-11-17(19)15-18(20(22)23)16-9-4-3-5-10-16/h3-7,9-12,18H,8,13-15H2,1-2H3,(H,22,23)/t18-/m0/s1