(2S)-3-[3-[3-(dimethylazaniumyl)propoxy]-4-methoxy-phenyl]-2-phenyl-propanoate

Systemtic Name: (2S)-3-[3-[3-(dimethylazaniumyl)propoxy]-4-methoxy-phenyl]-2-phenyl-propanoate Openeye Name: (2S)-3-[3-[3-(dimethylammonio)propoxy]-4-methoxy-phenyl]-2-phenyl-propanoate CAS Name: (2S)-3-[3-[3-(dimethylammonio)propoxy]-4-methoxyphenyl]-2-phenylpropanoate IUPAC Name: (2S)-3-[3-[3-(dimethylazaniumyl)propoxy]-4-methoxyphenyl]-2-phenylpropanoate Traditional Name: (2S)-3-[3-[3-(dimethylammonio)propoxy]-4-methoxy-phenyl]-2-phenyl-propionate Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-22(2)12-7-13-26-20-15-16(10-11-19(20)25-3)14-18(21(23)24)17-8-5-4-6-9-17/h4-6,8-11,15,18H,7,12-14H2,1-3H3,(H,23,24)/t18-/m0/s1