2-(4-bromanylphenoxy)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide Formula: C18H22BrN2O2S+ MolecularWeight: 410.34848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O2S/c19-14-5-7-15(8-6-14)23-13-18(22)20-12-16(17-4-3-11-24-17)21-9-1-2-10-21/h3-8,11,16H,1-2,9-10,12-13H2,(H,20,22)/p+1/t16-/m0/s1