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

Systemtic Name: 2-(2-nitrophenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-(2-nitrophenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-(2-nitrophenoxy)-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(2-nitrophenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-(2-nitrophenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide Formula: C19H24N3O4S+ MolecularWeight: 390.47656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c23-19(14-26-17-8-3-2-7-15(17)22(24)25)20-13-16(18-9-6-12-27-18)21-10-4-1-5-11-21/h2-3,6-9,12,16H,1,4-5,10-11,13-14H2,(H,20,23)/p+1/t16-/m0/s1