2-[2,4-bis(chloranyl)phenoxy]-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-(2,4-dichlorophenoxy)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-(2,4-dichlorophenoxy)-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-(2,4-dichlorophenoxy)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide Formula: C18H21Cl2N2O2S+ MolecularWeight: 400.34254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)COC2=C(C=C(C=C2)Cl)Cl)C3=CC=CS3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)COC2=C(C=C(C=C2)Cl)Cl)C3=CC=CS3

InChI

InChI=1S/C18H20Cl2N2O2S/c19-13-5-6-16(14(20)10-13)24-12-18(23)21-11-15(17-4-3-9-25-17)22-7-1-2-8-22/h3-6,9-10,15H,1-2,7-8,11-12H2,(H,21,23)/p+1/t15-/m0/s1