(2R)-3-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-propanoate

Systemtic Name: (2R)-3-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-propanoate Openeye Name: (2R)-3-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)propanoate CAS Name: (2R)-3-[4-methoxy-3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-thiophen-2-ylpropanoate IUPAC Name: (2R)-3-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-ylpropanoate Traditional Name: (2R)-3-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)propionate Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C2=CC=CS2)C(=O)[O-])OCC[NH+]3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C[C@@H](C2=CC=CS2)C(=O)[O-])OCC[NH+]3CCCC3

InChI

InChI=1S/C20H25NO4S/c1-24-17-7-6-15(13-16(20(22)23)19-5-4-12-26-19)14-18(17)25-11-10-21-8-2-3-9-21/h4-7,12,14,16H,2-3,8-11,13H2,1H3,(H,22,23)/t16-/m0/s1