(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-3-[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: (2S)-2-(3,4-dimethoxyphenyl)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propionate Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC2=CC=CC=C2OCC[NH+]3CCCC3)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CC2=CC=CC=C2OCC[NH+]3CCCC3)C(=O)[O-])OC

InChI

InChI=1S/C23H29NO5/c1-27-21-10-9-17(16-22(21)28-2)19(23(25)26)15-18-7-3-4-8-20(18)29-14-13-24-11-5-6-12-24/h3-4,7-10,16,19H,5-6,11-15H2,1-2H3,(H,25,26)/t19-/m0/s1