(2S)-2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate

Systemtic Name: (2S)-2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: (2S)-2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: (2S)-2-(4-methoxyphenyl)-3-[4-methoxy-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: (2S)-2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: (2S)-2-(4-methoxyphenyl)-3-[4-methoxy-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=CC=C(C=C1)C(CC2=C(C=C(C=C2)OC)OCC[NH+]3CCCC3)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC2=C(C=C(C=C2)OC)OCC[NH+]3CCCC3)C(=O)[O-]

InChI

InChI=1S/C23H29NO5/c1-27-19-8-5-17(6-9-19)21(23(25)26)15-18-7-10-20(28-2)16-22(18)29-14-13-24-11-3-4-12-24/h5-10,16,21H,3-4,11-15H2,1-2H3,(H,25,26)/t21-/m0/s1