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

Systemtic Name: (2R)-2-phenyl-3-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: (2R)-2-phenyl-3-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: (2R)-2-phenyl-3-[3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: (2R)-2-phenyl-3-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: (2R)-2-phenyl-3-[3-(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(=C2)CC(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=CC(=C2)C[C@H](C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H25NO3/c23-21(24)20(18-8-2-1-3-9-18)16-17-7-6-10-19(15-17)25-14-13-22-11-4-5-12-22/h1-3,6-10,15,20H,4-5,11-14,16H2,(H,23,24)/t20-/m1/s1