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

Systemtic Name: (2R)-3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-propanoate Openeye Name: (2R)-3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)propanoate CAS Name: (2R)-3-[3-methoxy-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-thiophen-2-ylpropanoate IUPAC Name: (2R)-3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-ylpropanoate Traditional Name: (2R)-3-[3-methoxy-2-(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=CC=CC(=C1OCC[NH+]2CCCC2)CC(C3=CC=CS3)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCCC2)C[C@@H](C3=CC=CS3)C(=O)[O-]

InChI

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