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

Systemtic Name: (2R)-2-phenyl-3-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: (2R)-2-phenyl-3-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: (2R)-2-phenyl-3-[2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: (2R)-2-phenyl-3-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: (2R)-2-phenyl-3-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propionate Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=CC=C2CC(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=CC=C2C[C@H](C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H27NO3/c24-22(25)20(18-9-3-1-4-10-18)17-19-11-5-6-12-21(19)26-16-15-23-13-7-2-8-14-23/h1,3-6,9-12,20H,2,7-8,13-17H2,(H,24,25)/t20-/m1/s1