(2R)-3-[2-[2-(dimethylazaniumyl)ethoxy]-4-methoxy-phenyl]-2-thiophen-2-yl-propanoate

Systemtic Name: (2R)-3-[2-[2-(dimethylazaniumyl)ethoxy]-4-methoxy-phenyl]-2-thiophen-2-yl-propanoate Openeye Name: (2R)-3-[2-[2-(dimethylammonio)ethoxy]-4-methoxy-phenyl]-2-(2-thienyl)propanoate CAS Name: (2R)-3-[2-[2-(dimethylammonio)ethoxy]-4-methoxyphenyl]-2-thiophen-2-ylpropanoate IUPAC Name: (2R)-3-[2-[2-(dimethylazaniumyl)ethoxy]-4-methoxyphenyl]-2-thiophen-2-ylpropanoate Traditional Name: (2R)-3-[2-[2-(dimethylammonio)ethoxy]-4-methoxy-phenyl]-2-(2-thienyl)propionate Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=CC(=C1)OC)CC(C2=CC=CS2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCOC1=C(C=CC(=C1)OC)C[C@@H](C2=CC=CS2)C(=O)[O-]

InChI

InChI=1S/C18H23NO4S/c1-19(2)8-9-23-16-12-14(22-3)7-6-13(16)11-15(18(20)21)17-5-4-10-24-17/h4-7,10,12,15H,8-9,11H2,1-3H3,(H,20,21)/t15-/m0/s1