(2R)-3-[5-chloranyl-2-[2-(dimethylazaniumyl)ethoxy]phenyl]-2-thiophen-2-yl-propanoate

Systemtic Name: (2R)-3-[5-chloranyl-2-[2-(dimethylazaniumyl)ethoxy]phenyl]-2-thiophen-2-yl-propanoate Openeye Name: (2R)-3-[5-chloro-2-[2-(dimethylammonio)ethoxy]phenyl]-2-(2-thienyl)propanoate CAS Name: (2R)-3-[5-chloro-2-[2-(dimethylammonio)ethoxy]phenyl]-2-thiophen-2-ylpropanoate IUPAC Name: (2R)-3-[5-chloro-2-[2-(dimethylazaniumyl)ethoxy]phenyl]-2-thiophen-2-ylpropanoate Traditional Name: (2R)-3-[5-chloro-2-[2-(dimethylammonio)ethoxy]phenyl]-2-(2-thienyl)propionate Formula: C17H20ClNO3S MolecularWeight: 353.8636

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1)Cl)CC(C2=CC=CS2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1)Cl)C[C@@H](C2=CC=CS2)C(=O)[O-]

InChI

InChI=1S/C17H20ClNO3S/c1-19(2)7-8-22-15-6-5-13(18)10-12(15)11-14(17(20)21)16-4-3-9-23-16/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,20,21)/t14-/m0/s1