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

Systemtic Name: (2S)-2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: (2S)-2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: (2S)-2-(4-methoxyphenyl)-3-[4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: (2S)-2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: (2S)-2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]propionate Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OCC[NH+]3CCCCC3)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC2=CC=C(C=C2)OCC[NH+]3CCCCC3)C(=O)[O-]

InChI

InChI=1S/C23H29NO4/c1-27-20-11-7-19(8-12-20)22(23(25)26)17-18-5-9-21(10-6-18)28-16-15-24-13-3-2-4-14-24/h5-12,22H,2-4,13-17H2,1H3,(H,25,26)/t22-/m0/s1