(2R)-3-[3-chloranyl-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxy-phenyl]-2-thiophen-2-yl-propanoate

Systemtic Name: (2R)-3-[3-chloranyl-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxy-phenyl]-2-thiophen-2-yl-propanoate Openeye Name: (2R)-3-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-methoxy-phenyl]-2-(2-thienyl)propanoate CAS Name: (2R)-3-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-methoxyphenyl]-2-thiophen-2-ylpropanoate IUPAC Name: (2R)-3-[3-chloro-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxyphenyl]-2-thiophen-2-ylpropanoate Traditional Name: (2R)-3-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-methoxy-phenyl]-2-(2-thienyl)propionate Formula: C18H22ClNO4S MolecularWeight: 383.88958

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1Cl)CC(C2=CC=CS2)C(=O)[O-])OC

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1Cl)C[C@@H](C2=CC=CS2)C(=O)[O-])OC

InChI

InChI=1S/C18H22ClNO4S/c1-20(2)6-7-24-17-14(19)10-12(11-15(17)23-3)9-13(18(21)22)16-5-4-8-25-16/h4-5,8,10-11,13H,6-7,9H2,1-3H3,(H,21,22)/t13-/m0/s1