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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC[NH+]2CCCCC2)CC(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCCCC2)C[C@@H](C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C23H29NO4/c1-27-21-12-8-11-19(17-20(23(25)26)18-9-4-2-5-10-18)22(21)28-16-15-24-13-6-3-7-14-24/h2,4-5,8-12,20H,3,6-7,13-17H2,1H3,(H,25,26)/t20-/m0/s1