(2R)-3-[5-chloranyl-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-propanoate

Systemtic Name: (2R)-3-[5-chloranyl-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-propanoate Openeye Name: (2R)-3-[5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-propanoate CAS Name: (2R)-3-[5-chloro-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-phenylpropanoate IUPAC Name: (2R)-3-[5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenylpropanoate Traditional Name: (2R)-3-[5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-propionate Formula: C21H24ClNO3 MolecularWeight: 373.87316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO3/c22-18-8-9-20(26-13-12-23-10-4-5-11-23)17(14-18)15-19(21(24)25)16-6-2-1-3-7-16/h1-3,6-9,14,19H,4-5,10-13,15H2,(H,24,25)/t19-/m1/s1