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

Systemtic Name: (2R)-2-phenyl-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: (2R)-2-phenyl-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: (2R)-2-phenyl-3-[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: (2R)-2-phenyl-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: (2R)-2-phenyl-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propionate Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=CC=C2CC(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=CC=C2C[C@H](C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H25NO3/c23-21(24)19(17-8-2-1-3-9-17)16-18-10-4-5-11-20(18)25-15-14-22-12-6-7-13-22/h1-5,8-11,19H,6-7,12-16H2,(H,23,24)/t19-/m1/s1