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

Systemtic Name: 2-(4-bromanylphenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide Formula: C19H24BrN2O2S+ MolecularWeight: 424.37506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)COC2=CC=C(C=C2)Br)C3=CC=CS3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)COC2=CC=C(C=C2)Br)C3=CC=CS3

InChI

InChI=1S/C19H23BrN2O2S/c20-15-6-8-16(9-7-15)24-14-19(23)21-13-17(18-5-4-12-25-18)22-10-2-1-3-11-22/h4-9,12,17H,1-3,10-11,13-14H2,(H,21,23)/p+1/t17-/m0/s1