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

Systemtic Name: (2S)-2-(4-methoxyphenyl)-3-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: (2S)-2-(4-methoxyphenyl)-3-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: (2S)-2-(4-methoxyphenyl)-3-[4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: (2S)-2-(4-methoxyphenyl)-3-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: (2S)-2-(4-methoxyphenyl)-3-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propionate Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4/c1-26-19-10-6-18(7-11-19)21(22(24)25)16-17-4-8-20(9-5-17)27-15-14-23-12-2-3-13-23/h4-11,21H,2-3,12-16H2,1H3,(H,24,25)/t21-/m0/s1